Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T96623 | Target Info | |||
| Target Name | Heat shock protein 90 beta (HSP90B) | ||||
| Synonyms |
Heat shock 84 kDa; HSP84; HSP 84
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|
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| Target Type | Clinical trial Target | ||||
| Gene Name | HSP90AB1 | ||||
| Biochemical Class | Heat shock protein | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 75 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
PMID26394986-Compound-44
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|
Patented | Compound Info | ||
| Activity |
IC50 = 155000 nM
|
[1] | |||
| Compound Name |
5-Cyclopropyl-4-(2,4-dimethyl-phenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158619; SCHEMBL2564877; BDBM50394072; 5-cyclopropyl-4-(2,4-dimethylphenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
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|
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| Activity |
Ki ~ 50000 nM
|
[2] | |||
| Compound Name |
4-(1h-Imidazo[4,5-C]pyridin-2-Yl)fluoren-9-One
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1917725; SCHEMBL2312523; SCHEMBL12431584; BDBM50357456; 4-(3H-imidazo[4,5-c]pyridin-2-yl)-fluoren-9-one; 4-(3H-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one; Q27467764; 4-(1H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-one
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|
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
8-(2-Bromo-4,5-dimethoxybenzyl)-2-fluoro-9-(pent-4-ynyl)-9H-purin-6-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL372791; SCHEMBL1859519; BDBM50180304; 2-Fluoro-8-(2-bromo-4,5-dimethoxy-benzyl)-9-(pent-4-ynyI)adenine; 2-Fluoro-8-(2-bromo-4,5-dimethoxy-benzyl)-9-(pent-4-ynyl)adenine; 2-fluoro-8-(2-bromo-4,5-dimethoxy-benzyl)-9-(pent-4-ynyl)-adenine; 8-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynylpurin-6-amine
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(1E)-1-Imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1917724; 2yjx; YJX; BDBM50357455
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|
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
2-(Benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
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|
Investigative | Compound Info | ||
| Synonyms |
BAS_01057772; 2-(1H-benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone; Cambridge id 5271305; Oprea1_175359; Oprea1_619673; cid_745543; IFLab1_001111; SCHEMBL5334232; CHEMBL1514322; BDBM32252; HMS1415C11; ZINC187785; CCG-20014; STK887753; AKOS000525823; MCULE-8816565729; IDI1_008978; ST50006769; AB00684157-01; F0308-0888; 2-(1-benzimidazolyl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone; 2-benzimidazolyl-1-(5-ethyl-2,4-dihydroxyphenyl)ethan-1-one; 2-(benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxy-phenyl)ethanone; 2-(benzimidazol-1-yl)-1-[5-ethyl-2,4-bis(oxidanyl)phenyl]ethanone; 2-(1H-benzo[d]imidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
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|
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
2-Fluoro-8-(2-iodo-4,5-dimethoxybenzyl)-9-(pent-4-ynyl)-9H-purin-6-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL202777; SCHEMBL1864700; BDBM50180303; 2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4-ynyl)-adenine; 2-Fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4-ynyl)adenine; 2-fluoro-8-[(2-iodo-4,5-dimethoxyphenyl)methyl]-9-pent-4-ynylpurin-6-amine
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
N'-[4-(3H-Imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]butanediamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1917726; SCHEMBL13437159; SCHEMBL17169737; BDBM50357457
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|
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| Activity |
IC50 = 50000 nM
|
[3] | |||
| Compound Name |
8-(2,4-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL371570; SCHEMBL17900411; BDBM50165309
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|
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
2-Morpholin-4-yl-6-(2,4,5-trimethoxybenzyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235842; BDBM50005748; ZINC15779284; MCULE-5391829092
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|
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| Activity |
IC50 = 50900 nM
|
[7] | |||
| Compound Name |
1-(Naphthalen-2-ylmethyl)-4-[4-[1-(naphthalen-2-ylmethyl)triazol-4-yl]butyl]triazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413587; BDBM50492755
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|
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| Activity |
IC50 = 52000 nM
|
[8] | |||
| Compound Name |
2-Morpholin-4-yl-6-(3,4,5-trimethoxybenzyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235846; BDBM50005754; ZINC21039166; MCULE-2379690536
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|
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| Activity |
IC50 = 55120 nM
|
[7] | |||
| Compound Name |
[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4-difluorobenzoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264527; BDBM50013691
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|
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| Activity |
IC50 = 58000 nM
|
[1] | |||
| Compound Name |
6-[(4-Bromo-2-thienyl)methyl]-2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235848; BDBM50005778; ZINC15779573; CCG-187516
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|
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| Activity |
IC50 = 59280 nM
|
[7] | |||
| Compound Name |
[(2R,3R)-5,7-Dihydroxy-2-phenyl-3,4-dihydro-2H-chromen-3-yl] benzoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264541; BDBM50013709
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|
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| Activity |
IC50 = 63000 nM
|
[1] | |||
| Compound Name |
6-[(5-Bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1706253; HMS1889K06; BDBM50005753; NCGC00131254-01; G421-0758
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|
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| Activity |
IC50 = 63200 nM
|
[7] | |||
| Compound Name |
[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] pyridine-4-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264528; BDBM50013692
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|
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| Activity |
IC50 = 64000 nM
|
[1] | |||
| Compound Name |
[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-fluorocyclohexane-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264535; CHEMBL3264536; BDBM50013700; BDBM50013701
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|
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| Activity |
IC50 = 65000 nM
|
[1] | |||
| Compound Name |
(3S)-3-Acetamido-4-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,5S,8S,11S,19S)-5-(4-aminobutyl)-11-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-2-[(2S)-butan-2-yl]-8-(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360772; BDBM50048496
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|
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| Activity |
IC50 ~ 67000 nM
|
[9] | |||
| Compound Name |
1-[3-[2-(4-Bromophenoxy)ethoxy]-2-methoxypropyl]-4-(2-tert-butylphenyl)piperazine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126074; BDBM50496510
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|
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| Activity |
IC50 = 70430 nM
|
[10] | |||
| Compound Name |
6-[(5-Bromo-2-thienyl)methyl]-2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1882758; HMS1889M08; BDBM50005757; ZINC21262375; NCGC00131288-01; G421-0810
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|
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| Activity |
IC50 = 74680 nM
|
[7] | |||
| Compound Name |
N-[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264530; BDBM50013694
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|
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| Activity |
IC50 = 75000 nM
|
[1] | |||
| Compound Name |
1-[(3,4,5-Trimethoxyphenyl)-carbonyl]-1H-indazole-5-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL510001; MDG-892; BDBM50267843; ZINC19851134; (5-aminoindazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
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|
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| Activity |
IC50 = 80760 nM
|
[11] | |||
| Compound Name |
[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] cyclohexanecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264537; BDBM50013704
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|
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| Activity |
IC50 = 81000 nM
|
[1] | |||
| Compound Name |
3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2042886; (2r)-3-Cyclohexyl-2-(6-Hydroxy-1h-Indazol-3-Yl)propanenitrile; SCHEMBL2396114; BDBM50385998; Q27459931; 3-cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl) propanenitrile; 3-cyclohexyl-2-(6-oxo-1,2-dihydroindazol-3-yl)propanenitrile
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|
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| Activity |
IC50 = 85000 nM
|
[12] | |||
| Compound Name |
3-Cyclopentyl-2H-indazol-6-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2042884; SCHEMBL1941152; BDBM50386000
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|
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| Activity |
IC50 = 87000 nM
|
[12] | |||
| Compound Name |
6-[(5-Bromothiophen-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235850; BDBM50005780
Click to Show/Hide
|
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| Activity |
IC50 = 87960 nM
|
[7] | |||
| Compound Name |
[(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] cyclohexanecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264532; BDBM50013696
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|
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| Activity |
IC50 = 98000 nM
|
[1] | |||
| Compound Name |
6-[(4-Fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235844; BDBM50005751; CCG-187580
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Br)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426734; SCHEMBL16487450; BDBM50087447
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[8-(2,4-Dimethoxyphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426770; BDBM50087651
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Nc1ncnc2n(CCCC#N)c(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426748; SCHEMBL16487239; BDBM50087507
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Nc1ncnc2n(CCc3ccccc3)c(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426750; SCHEMBL16486976; BDBM50087509
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
1-[3-[2-(4-Bromophenoxy)ethoxy]propyl]-4-(2-tert-butylphenyl)piperazine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126075; BDBM50496491
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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
4-[8-(3,5-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426775; BDBM50087712
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[6-Imino-8-[2-(trifluoromethoxy)phenyl]sulfanyl-7H-purin-3-yl]butanenitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426767; BDBM50087648
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(4-Chlorophenyl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235853; BDBM50005785
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
8-(2-Chloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL190439; SCHEMBL17897912; BDBM50165295
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
8-(2-Chloro-5-trifluoromethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL364456; BDBM50165265
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
8-(2-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193892; SCHEMBL17900410; BDBM50165266
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
CC(C)NCCCn1cnc(N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426779; SCHEMBL16486770; BDBM50087718
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
6-[(4-Chlorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235845; BDBM50005752; CCG-187577
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426774; SCHEMBL16487297; BDBM50087710
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[8-[2-Chloro-5-(trifluoromethyl)phenyl]sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426773; BDBM50087705
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[6-Imino-8-(2-methoxyphenyl)sulfanyl-7H-purin-3-yl]butanenitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426765; BDBM50087577
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N-[5-(5-Chloro-2,4-dihydroxyphenyl)-3-(3,3-difluoroazetidine-1-carbonyl)-1,2-oxazol-4-yl]-4-methoxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1940923; SCHEMBL14713197; BDBM50361680
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
(4-Fluorophenyl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235852; BDBM50005784
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Nc1ncnc2n(CCCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426747; SCHEMBL16486918; BDBM50087506
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
8-((2,5-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL364450; SCHEMBL17897927; BDBM50165282; 8-(2,5-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[6-Imino-8-(2,4,5-trichlorophenyl)sulfanyl-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426776; BDBM50087715
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[8-[2-(Hydroxymethyl)phenyl]sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426766; BDBM50087578
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Nc1ncnc2n(CCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426744; SCHEMBL16487046; BDBM50087502
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl)-9H-purin-6-ylamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL371372; SCHEMBL17900412; BDBM50165278
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
CC#CCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426743; SCHEMBL16487237; BDBM50087461
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
8-(4-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL370286; SCHEMBL17897915; BDBM50165302
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Nc1ncnc2n(CCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426745; SCHEMBL16486990; BDBM50087504
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
[2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-phenyl]-methanol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL190438; SCHEMBL17897928; BDBM50165294
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[6-Imino-8-(2,4,6-trimethylphenyl)sulfanyl-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426777; BDBM50087716
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[8-(2,5-Dichlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426771; BDBM50087652
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Nc1ncnc2n(CCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426741; SCHEMBL16486552; BDBM50087454
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
4-[8-(2,5-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426772; BDBM50087662
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N,N-Dimethyl-4-{[2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]methyl}aniline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235847; BDBM50005755; ZINC21039891; CCG-187561
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
[3-(Dimethylcarbamoyloxy)-4-[5-(ethylcarbamoylsulfanyl)-4-naphthalen-1-yl-1,2,4-triazol-3-yl]phenyl] N,N-dimethylcarbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL1304824; CHEMBL3686095; BDBM131805; BDBM194676; US8835464, 6b; US9206162, 6b
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
Nc1ncnc2n(CCCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426742; SCHEMBL16487134; BDBM50087455
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
9-Benzyl-8-(3,5-dichlorophenyl)sulfanylpurin-6-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426749; SCHEMBL16486869; BDBM50087508
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235843; BDBM50005749; ZINC15779254; CCG-187371; MCULE-8735487512
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
4-[8-(2-Chlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426764; BDBM50087576
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Nc1ncnc2n(CCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426746; SCHEMBL16487181; BDBM50087505
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264533; BDBM50013697
Click to Show/Hide
|
||||
| Activity |
IC50 = 110000 nM
|
[1] | |||
| Compound Name |
Methyl 3-[(2-methoxyacetyl)amino]-1-(3-methylbutyl)-5-(6-methylhept-5-en-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3234416; BDBM50008055; MCULE-1204516980
Click to Show/Hide
|
||||
| Activity |
IC50 = 119500 nM
|
[15] | |||
| Compound Name |
[(2R,3S)-5,7-Dihydroxy-2-phenyl-3,4-dihydro-2H-chromen-3-yl] benzoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264542; BDBM50013713
Click to Show/Hide
|
||||
| Activity |
IC50 = 120000 nM
|
[1] | |||
| Compound Name |
(3S)-3-Acetamido-4-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,5S,8S,11S,19S)-11-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-5-(3-carbamimidamidopropyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-methylsulfanylethyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360771; BDBM50048495
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 120000 nM
|
[9] | |||
| Compound Name |
(2S,8S,11S,19S)-19-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Acetamido-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-2,8-bis(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360773; BDBM50048497
Click to Show/Hide
|
||||
| Activity |
IC50 = 121000 nM
|
[9] | |||
| Compound Name |
[(2R,3S)-5,7-Dihydroxy-2-phenyl-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264543; SCHEMBL9106752; BDBM50013714
Click to Show/Hide
|
||||
| Activity |
IC50 = 150000 nM
|
[1] | |||
| Compound Name |
(3S)-3-Acetamido-4-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360762; BDBM50048491
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 160000 nM
|
[9] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 40 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Novobiocin
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Albamix; Albamycin; Cardelmycin; Cathocin; Cathomycin; Inamycin; NOV; Novobiocina; Novobiocine; Novobiocinum; Robiocina; Sirbiocina; Spheromycin; Stilbiocina; Streptonivicin; Crystallinic acid; Novobiocin sodium salt; PA 93; U 6391; Albamycin (TN); Antibiotic PA-93; Novo-R; Novobiocin [INN:BAN]; Novobiocina [INN-Spanish]; Novobiocine [INN-French]; Novobiocinum [INN-Latin]; Streptonivicin (*Sodium salt*); [(3R,4S,5R,6R)-5-hydroxy-6-[2-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate; N-[7-[[3-O-(Aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-.beta.-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl); (3R,4S,5R,6R)-5-hydroxy-6-{[4-hydroxy-3-({[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}amino)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate; (3r,4s,5r,6r)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-4-oxo-4h-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2h-pyran-4-yl carbamate(non-preferred name); 7-(3-(O-Carbamoyl)-4-(O-methyl)-5,5-dimethyl-alpha-L-lyxopyranosyloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methyl-2-butenyl)benzamidol)-8-methylcumarin; 7-(Carbamoyltetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamide)-8-methyl-2H-chromen-2-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 231000 nM
|
[9] | |||
| Compound Name |
Adenine
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
ADE; ANE; Adenin; Adeninimine; Adenine [JAN]; Pedatisectine B; AD2; Vitamin B 4; Vitamin B4; ALBB-005925; Adenine (8CI); Adenine-ring; B 4, Vitamin; Leuco-4; Leucon (TN); Purine, 6; USAF CB-18; Vitamin-B4; Adenine (JAN/USP); Adenine-8-14C; 1,6-Dihydro-6-Imnopurine; 1,6-Dihydro-6-iminopurine; 1H-Purin-6-amine; 1H-Purin-6-amine (9CI); 1H-Purine, 6-amino; 2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE; 3,6-Dihydro-6-iminopurine; 4, Vitamin B; 6-Amino-1H-purine; 6-Amino-3H-purine; 6-Amino-7H-purine; 6-Amino-9H-purine; 6-Aminopurine; 7H-Purin-6-amine; 9H-Purin-6-amine
Click to Show/Hide
|
||||
| Activity |
IC50 > 4000000 nM
|
[16] | |||
| Compound Name |
4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine; 4-(2-methoxy-ethoxy)-6-methyl-pyrimidin-2-ylamine; 75435-54-0; 2wi1; AC1MWPG2; pyrimidin-2-amine, 11; CHEMBL538937; SCHEMBL10752783; BDBM33223; CCG-774; VCJHOFUOIQHNBC-UHFFFAOYSA-N; AKOS017529730; DB08786; 2-amino-4-(2-methoxyethoxy)-6-methylpyrimidine; 4-Methyl-6-(2-methoxyethoxy)pyrimidine-2-amine; 4-(2-methoxy-ethoxy)-6-methyl-pyrimidine-2-ylamine
Click to Show/Hide
|
||||
| Activity |
IC50 > 4000000 nM
|
[16] | |||
| Compound Name |
4-(2,4-Dimethylphenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158633; BDBM50394082
Click to Show/Hide
|
||||
| Activity |
Ki > 200000 nM
|
[2] | |||
| Compound Name |
4-(2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158580; BDBM50394080
Click to Show/Hide
|
||||
| Activity |
Ki > 200000 nM
|
[2] | |||
| Compound Name |
5-Bromo-4-(2,4-dimethyl-phenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158585; SCHEMBL2565357; BDBM50394075; 5-bromo-4-(2,4-dimethylphenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Click to Show/Hide
|
||||
| Activity |
Ki > 200000 nM
|
[2] | |||
| Compound Name |
9-(Pent-4-yn-1-yl)-8-((2,4,5-trichlorophenyl)thio)-9H-purin-6-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL192480; SCHEMBL1859060; BDBM50165315; 9-pent-4-ynyl-8-(2,4,5-trichlorophenyl)sulfanylpurin-6-amine; 9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9H-purin-6-ylamine
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[6] | |||
| Compound Name |
4-(4-Fluoro-2-methylphenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158620; SCHEMBL4123390; BDBM50394071
Click to Show/Hide
|
||||
| Activity |
Ki > 200000 nM
|
[2] | |||
| Compound Name |
4-(4-Fluoro-2-methylphenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158634; BDBM50394081
Click to Show/Hide
|
||||
| Activity |
Ki > 200000 nM
|
[2] | |||
| Compound Name |
4-(2,4-Dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158617; SCHEMBL2570481; BDBM50394074
Click to Show/Hide
|
||||
| Activity |
Ki > 200000 nM
|
[2] | |||
| Compound Name |
N-[6-Amino-2-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]prop-2-enamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128272; SCHEMBL18060954; BDBM50496452
Click to Show/Hide
|
||||
| Activity |
IC50 > 250000 nM
|
[17] | |||
| Compound Name |
4-[8-(2,4-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426769; BDBM50087650
Click to Show/Hide
|
||||
| Activity |
IC50 > 250000 nM
|
[6] | |||
| Compound Name |
[(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxycyclohexane-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264534; BDBM50013699
Click to Show/Hide
|
||||
| Activity |
IC50 = 280000 nM
|
[1] | |||
| Compound Name |
8-((2,4-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL365118; PU-H39; SCHEMBL16512972; BDBM50165316; 8-(2,4-dichlorophenyl)sulfanyl-9-pent-4-ynylpurin-6-amine; 8-(2,4-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
Click to Show/Hide
|
||||
| Activity |
IC50 > 300000 nM
|
[6] | |||
| Compound Name |
8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
PU-H54-iso; CHEMBL424824; 8-((2,4-Dimethylphenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine; SCHEMBL17897923; BDBM50165286; 8-(2,4-dimethylphenyl)sulfanyl-9-pent-4-ynylpurin-6-amine
Click to Show/Hide
|
||||
| Activity |
IC50 > 300000 nM
|
[6] | |||
| Compound Name |
8-((2,5-Dimethylphenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL364239; SCHEMBL17897930; BDBM50165300; 8-(2,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
Click to Show/Hide
|
||||
| Activity |
IC50 > 300000 nM
|
[6] | |||
| Compound Name |
8-((3,5-Dimethylphenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL195096; SCHEMBL17897918; BDBM50165319; 8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
Click to Show/Hide
|
||||
| Activity |
IC50 > 300000 nM
|
[6] | |||
| Compound Name |
[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxycyclohexane-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264538; CHEMBL3264539; BDBM50013705; BDBM50013707
Click to Show/Hide
|
||||
| Activity |
IC50 = 310000 nM
|
[1] | |||
| Compound Name |
4-Methyl-6-(methylthio)-1,3,5-triazin-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-; 4-Methyl-6-(Methylsulfanyl)-1,3,5-Triazin-2-Amine; 4-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine; 1,3,5-Triazin-2-amine,4-methyl-6-(methylthio)-; BRN 0510740; 6-methyl-4-methylthio-1,3,5-triazine-2-ylamine; Maybridge1_006211; 2-Ethoxy-4-methoxybenzoicacid; CHEMBL541949; SCHEMBL10876554; BDBM33222; CTK4F9977; HMS559C07; ZINC76642; DTXSID50182007; 1,3,5-triazin-2-amine, 10; ALBB-017398; MFCD00052777; SBB052029; STL436059; AKOS002658234; MCULE-3911781813; DB-026253; FT-0619050; ST50949512; W-6384; 2-amino-4-methyl-6-methylthio-1,3,5-triazine; 2-Amino-4-methyl-6-(methylthio)-1,3,5-triazine; Q27468117; (4-methyl-6-methylsulfanyl-[1,3,5]triazin-2-yl)-amine
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| Activity |
IC50 = 350000 nM
|
[16] | |||
| Compound Name |
[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] cyclopropanecarboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264540; BDBM50013708
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| Activity |
IC50 = 410000 nM
|
[1] | |||
| Compound Name |
Methyl 3,5-dihydroxyphenylacetate
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Investigative | Compound Info | ||
| Synonyms |
methyl 2-(3,5-dihydroxyphenyl)acetate; Methyl 2-(3,5-Dihydroxyphenyl)ethanoate; methyl(3,5-dihydroxyphenyl)acetate; Methyl (3,5-dihydroxyphenyl)acetate; 3,5-dihydroxyphenylacetic acid methyl ester; Methyl 3,5-dihyroxyphenylacetate; benzeneacetic acid, 3,5-dihydroxy-, methyl ester; methyl[3,5-dihydroxyphenyl]acetate; methyl [3,5-dihydroxyphenyl]acetate; resorcinol fragment, 8; 3,5-Dihydroxyphenylacetic acid, methyl ester; ACMC-1AQT0; SCHEMBL478058; CHEMBL540934; BDBM33220; DTXSID20342212; ZINC395571; ANW-74229; MFCD00091620; AKOS015856262; HR-0317; MCULE-5129147520; Methyl (3,5-dihydroxyphenyl)acetate #; methyl-2-(3,5-dihydroxyphenyl)acetate; Methyl 3,5-dihydroxyphenylacetate, 97%; SC-86694; (3,5-dihydroxy-phenyl)-acetic methyl ester; DB-070782; 3,5-Dihydroxybenzeneacetic acid methyl ester; 3,5-dihydroxyphenyl acetic acid methyl ester; FT-0600046; ST50410931; (3,5-dihydroxyphenyl)-acetic acid methyl ester; (3,5-dihydroxy-phenyl)-acetic acid methyl ester; 724M101; Q27467623
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| Activity |
IC50 = 490000 nM
|
[16] | |||
| Compound Name |
N-[2-(4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128279; SCHEMBL18060784; BDBM50496445
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| Activity |
IC50 > 500000 nM
|
[17] | |||
| Compound Name |
N-[2-[4,6-Dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]-2-methylprop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128291; SCHEMBL18060782; BDBM50496448
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| Activity |
IC50 > 500000 nM
|
[17] | |||
| Compound Name |
N-[2-[4,6-Dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]prop-2-enamide
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128276; SCHEMBL1275972; BDBM50496447
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||||
| Activity |
IC50 > 500000 nM
|
[17] | |||
| Compound Name |
N-[6-Amino-2-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128282; SCHEMBL18060941; BDBM50496449
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| Activity |
IC50 > 500000 nM
|
[17] | |||
| Compound Name |
N-[2-[4,6-Dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]prop-2-enamide
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128285; SCHEMBL18060637; BDBM50496446
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| Activity |
IC50 > 500000 nM
|
[17] | |||
| Compound Name |
CID 68381039
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128288; SCHEMBL12806008; BDBM50496444
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||||
| Activity |
IC50 > 500000 nM
|
[17] | |||
| Compound Name |
8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426740; SCHEMBL17897951; BDBM50087453
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| Activity |
IC50 > 500000 nM
|
[6] | |||
| Compound Name |
8-((3,5-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL192013; SCHEMBL16512971; BDBM50165268; 8-(3,5-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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| Activity |
IC50 > 500000 nM
|
[6] | |||
| Compound Name |
N-[6-Amino-2-[[4,6-dimethoxy-2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]thio]-4-pyrimidinyl]-2-propenamid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128270; SCHEMBL1276107; BDBM50496453; ZINC103253560; N-[2-[[2-(4-Methylpiperazino)-4,6-dimethoxypyrimidine-5-yl]thio]-6-aminopyrimidine-4-yl]acrylamide
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| Activity |
IC50 > 500000 nM
|
[17] | |||
| Compound Name |
N-[6-Amino-2-(4,6-diethoxy-2-piperidin-1-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]prop-2-enamide
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128275; SCHEMBL18060922; BDBM50496450
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| Activity |
IC50 > 500000 nM
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[17] | |||
| Compound Name |
N-[3-(4,6-Dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylphenyl]prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128284; SCHEMBL18060751; BDBM50496455
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| Activity |
IC50 > 500000 nM
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[17] | |||
| Compound Name |
N-[2-[[2-(4-Methylpiperazino)-4,6-diethoxypyrimidine-5-yl]thio]-6-aminopyrimidine-4-yl]acrylamide
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128273; SCHEMBL1275726; BDBM50496451
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| Activity |
IC50 > 500000 nM
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[17] | |||
| Compound Name |
CID 66973895
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3128287; SCHEMBL1276110; BDBM50496454
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| Activity |
IC50 > 500000 nM
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[17] | |||
| Compound Name |
4-[8-(2,4-Dichlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426768; BDBM50087649
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| Activity |
IC50 > 500000 nM
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[6] | |||
| Compound Name |
Pyrimidin-2-amine, 15
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL549547; BDBM33227; ZINC37246112; 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide
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| Activity |
IC50 = 535000 nM
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[16] | |||
| Compound Name |
2',4'-Dihydroxypropiophenone
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Investigative | Compound Info | ||
| Synonyms |
1-(2,4-dihydroxyphenyl)propan-1-one; 2,4-Dihydroxypropiophenone; 4-Propionylresorcinol; 1-(2,4-Dihydroxy-Phenyl)-Propan-1-One; MFCD00002280; 1-Propanone, 1-(2,4-dihydroxyphenyl)-; respropiophenone; NSC34096; EINECS 227-329-4; resorcinol fragment, 9; ACMC-209m1c; SCHEMBL481085; 2',4'-dihydroxy-propiophenone; CHEMBL539379; 2\\',4\\'-Dihydroxypropiophenone; BDBM33221; CTK5A7636; DTXSID90206630; 2,4-Dihydroxyphenyl Ethyl Ketone; ZINC155598; ANW-32830; NSC-34096; SBB057457; 2',4'-Dihydroxypropiophenone, 99%; AKOS000112431; 1-(2,4-Dihydroxyphenyl)-1-propanone; AS07000; HR-0357; MCULE-2706407067; KS-000013M1; 1-Propanone,1-(2,4-dihydroxyphenyl)-; 1-(2,4-Dihydroxyphenyl)-1-propanone #; D2694; FT-0610127; ST50331795; Y1973; AE-562/40724473; Q27452971
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| Activity |
IC50 = 570000 nM
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[16] | |||
| Compound Name |
Thieno[2,3-d]pyrimidine, 16
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL549673; BDBM33228
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| Activity |
IC50 = 1250000 nM
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[16] | |||
| Compound Name |
2-Aminobenzamide
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Investigative | Compound Info | ||
| Synonyms |
Anthranilamide; Benzamide, 2-amino-; o-Aminobenzamide; 2-Carbamoylaniline; Aminobenzamide; Anthranilimidic acid; Benzamide, o-amino-; Anthranilic acid amide; 2-Amino-Benzamide; Anthranilamide (VAN); o-Aminobenzamide (VAN); 2-Aminobenzamide (VAN); Anthranilimidic acid (VAN); Benzoic acid, 2-amino-, amide; UNII-Q1M2WEK6VA; MFCD00007981; Benzenecarboximidicacid, 2-amino-; Q1M2WEK6VA; Benzamide, o-amino- (VAN) (8CI); Anthranilamide, 99+%; HSDB 5261; EINECS 201-851-2; NSC 38768; BRN 0508509; amino-benzamide; Benzamide, o-amino- (VAN); AI3-28018; o-carbamoylaniline; 2-azanylbenzamide; o-amino-benzamide; 2-aminobenz-amide; 2-Amino benzamide; ortho-aminobenzamide; 2- amino-benzamide; 2-Aminobenzimidic acid; PubChem13631; 2-amino benzamide, 7; ACMC-209qwj; 2-aminobenzenecarboxamide; Anthranilamide, >=98%; DSSTox_CID_1789; DSSTox_RID_76327; DSSTox_GSID_21789; Oprea1_246280; SCHEMBL38228; 4-14-00-01010 (Beilstein Handbook Reference); KSC448C1P; MLS001066328; CHEMBL43175; 2-Amino-Benzamideanthranilamide; DTXSID2021789; SCHEMBL11068162; BDBM33219; CTK0J9675; CTK3E8117; HMS1732D11; HMS2269G08; ZINC152578; CS-D1680; NSC38768; STR02027; Tox21_200412; ANW-39137; BBL012278; NSC-38768; SBB007561; STL163592; AKOS000119694; LS11473; MCULE-6335935491; PS-5040; 2-Carbamoylaniline, Anthranilimidic acid; NCGC00247015-01; NCGC00247015-02; NCGC00257966-01; AC-20346; AK109256; SC-18127; SMR000112353; SY001144; DB-022491; A0262; FT-0611226; ST45026786; Y-8622; A842842; AT-057/40177776; W-100391; Q27286892; Z57036632; F3329-0460; Anthranilamide, matrix substance for MALDI-MS, >=99.0% (HPLC)
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| Activity |
IC50 > 4000000 nM
|
[16] | |||
| Compound Name |
Click to Show/Hide
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Compound Info | |||
| Activity |
IC50 = 893677 nM
|
[18] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Towards the discovery of drug-like epigallocatechin gallate analogs as Hsp90 inhibitors. Bioorg Med Chem Lett. 2014 May 15;24(10):2263-6. | ||||
| REF 2 | Targeting conserved water molecules: design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg Med Chem. 2012 Nov 15;20(22):6770-89. | ||||
| REF 3 | Tricyclic series of heat shock protein 90 (Hsp90) inhibitors part I: discovery of tricyclic imidazo[4,5-c]pyridines as potent inhibitors of the Hsp90 molecular chaperone. J Med Chem. 2011 Oct 27;54(20):7206-19. | ||||
| REF 4 | Identification of potent water soluble purine-scaffold inhibitors of the heat shock protein 90. J Med Chem. 2006 Jan 12;49(1):381-90. | ||||
| REF 5 | From carbohydrates to drug-like fragments: Rational development of novel alpha-amylase inhibitors. Bioorg Med Chem. 2015 Oct 15;23(20):6725-32. | ||||
| REF 6 | Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum Hsp90 paralog Grp94. J Med Chem. 2015 May 14;58(9):3922-43. | ||||
| REF 7 | Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening. Eur J Med Chem. 2014 May 22;79:399-412. | ||||
| REF 8 | Dimeric and trimeric triazole based molecules as a new class of Hsp90 molecular chaperone inhibitors. Eur J Med Chem. 2013 Jul;65:464-76. | ||||
| REF 9 | Potential C-terminal-domain inhibitors of heat shock protein 90 derived from a C-terminal peptide helix. Bioorg Med Chem. 2014 Aug 1;22(15):3989-93. | ||||
| REF 10 | Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold. Bioorg Med Chem Lett. 2014 Mar 15;24(6):1557-61. | ||||
| REF 11 | Integration of ligand and structure-based virtual screening for the identification of the first dual targeting agent for heat shock protein 90 (Hsp90) and tubulin. J Med Chem. 2009 Apr 23;52(8):2177-80. | ||||
| REF 12 | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90. Bioorg Med Chem Lett. 2012 Jul 1;22(13):4396-403. | ||||
| REF 13 | Novel 3,4-isoxazolediamides as potent inhibitors of chaperone heat shock protein 90. J Med Chem. 2011 Dec 22;54(24):8592-604. | ||||
| REF 14 | US patent application no. 8835464B2, Triazole compounds that modulate HSP90 activity | ||||
| REF 15 | Differences in conformational dynamics between Plasmodium falciparum and human Hsp90 orthologues enable the structure-based discovery of pathogen-selective inhibitors. J Med Chem. 2014 Mar 27;57(6):2524-35. | ||||
| REF 16 | Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone. J Med Chem. 2009 Aug 13;52(15):4794-809. | ||||
| REF 17 | Heat shock protein 70 inhibitors. 1. 2,5'-thiodipyrimidine and 5-(phenylthio)pyrimidine acrylamides as irreversible binders to an allosteric site on heat shock protein 70. J Med Chem. 2014 Feb 27;57(4):1188-207. | ||||
| REF 18 | Experimental and structural testing module to analyze paralogue-specificity and affinity in the Hsp90 inhibitors series. J Med Chem. 2013 Sep 12;56(17):6803-18. | ||||
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