Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T18477 | Target Info | |||
| Target Name | Heat shock protein 90 alpha (HSP90A) | ||||
| Synonyms |
Renal carcinoma antigen NY-REN-38; Lipopolysaccharide-associated protein 2; LPS-associated protein 2; LAP-2; Heat shock protein HSP 90-alpha; Heat shock 86 kDa; HSPCA; HSPC1; HSP90A; HSP86; HSP 86
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| Target Type | Successful Target | ||||
| Gene Name | HSP90AA1 | ||||
| Biochemical Class | Heat shock protein | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 82 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
NS-1619
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|
Terminated | Compound Info | ||
| Synonyms |
NS-1619; 153587-01-0; NS 1619; 1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one; NS1619; CHEMBL384903; 1,3-Dihydro-1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-benzimidazol-2-one; CHEBI:34879; 1-(2'-Hydroxy-5'-trifluoromethylphenyl)-5-trifluoromethyl-2(3H)-benzimidazolone; 1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1,3-dihydro-2h-benzimidazol-2-one; 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
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|
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| Activity |
IC50 = 81000 nM
|
[1] | |||
| Compound Name |
LY-292223
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Investigative | Compound Info | ||
| Synonyms |
2-(4-Morpholinyl)-4H-1-benzopyran-4-one; 2-morpholinochromone; LY-292223; CHEMBL367315; 2-morpholino-4H-chromen-4-one; 130735-56-7; U67154; AC1L2YUR; U-67154; SCHEMBL3361567; 2-morpholin-4-ylchromen-4-one; DTXSID30156701; 2-Morpholin-4-yl-chromen-4-one; QNFWERYZJLBANZ-UHFFFAOYSA-N; BDBM50098118; 2-(4-Morpholinyl)-4H-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
adenosine diphosphate
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|
Investigative | Compound Info | ||
| Synonyms |
Adenosine diphosphate; 58-64-0; ADP; Adenosine 5'-(trihydrogen diphosphate); adenosine pyrophosphate; adenosine 5'-pyrophosphate; ADP (nucleotide); adenosine-diphosphate; 5'-Adenylphosphoric acid; 5'-Adp; Adenosindiphosphorsaeure; Adenosine 5'-pyrophosphoric acid; Adenosine-5'-diphosphat; Adenosine 5'-diphosphoric acid; Adenosine diphosphoric acid; Ado-5'-P-P; UNII-61D2G4IYVH; H3adp; BRN 0067722; CHEBI:16761; EINECS 200-392-5; 61D2G4IYVH; CHEMBL14830
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| Activity |
IC50 = 59308 nM
|
[3] | |||
| Compound Name |
CCC(CC#C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426758; SCHEMBL16487293; BDBM50087526
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
CCCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426751; SCHEMBL16487229; BDBM50087511
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
8-(3,5-Dichlorophenyl)sulfanyl-9-pent-4-yn-2-ylpurin-6-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426752; BDBM50087519
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Nc1ncnc2n(CCCC#C)c(Sc3ccc(Br)cc3Cl)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426733; SCHEMBL16487236; BDBM50087445
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
9-Butyl-8-(3,5-dichlorophenyl)sulfanylpurin-6-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426754; SCHEMBL17897933; BDBM50087522
Click to Show/Hide
|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| 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 ~ 50000 nM
|
[4] | |||
| Compound Name |
Nc1ncnc2n(CCc3ccccc3)c(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426750; SCHEMBL16486976; BDBM50087509
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
[(2S)-6-(2-Chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3715902; BDBM50236513
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|
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| Activity |
Ki ~ 50000 nM
|
[5] | |||
| Compound Name |
[(2R)-6-(2-Chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3717438; BDBM50236520
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| Activity |
Ki ~ 50000 nM
|
[5] | |||
| Compound Name |
CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)nccc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426782; SCHEMBL16487427; BDBM50087723
Click to Show/Hide
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| 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
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Methyl (1R,3R,5S,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-triene-3-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL174207; SCHEMBL10093375; BDBM50098121
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
N-Benzyl-2,4-dihydroxy-N-[4-[(4-methoxyphenyl)methyl-methylcarbamoyl]phenyl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3732579; BDBM50236517
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| Activity |
Ki ~ 50000 nM
|
[5] | |||
| Compound Name |
Nc1ncnc2n(CCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426744; SCHEMBL16487046; BDBM50087502
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
9-But-3-ynyl-8-(2,4-dichlorophenyl)sulfanylpurin-6-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426756; BDBM50087524
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)nccc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426783; SCHEMBL16487477; BDBM50087724
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Nc1ncnc2n(CCCC#C)c(Sc3cc(Br)cc(Br)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426735; SCHEMBL16487065; BDBM50087448
Click to Show/Hide
|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Nc1ncnc2n(CCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426741; SCHEMBL16486552; BDBM50087454
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| 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
Click to Show/Hide
|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Nc1ncnc2n(CCCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426742; SCHEMBL16487134; BDBM50087455
Click to Show/Hide
|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
9-Benzyl-8-(3,5-dichlorophenyl)sulfanylpurin-6-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426749; SCHEMBL16486869; BDBM50087508
Click to Show/Hide
|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Nc1ncnc2n(CCCC#C)c(Sc3cc(cc(c3)C#N)C#N)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426737; SCHEMBL16487197; BDBM50087450
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
8-(2,4-Dichlorophenyl)sulfanyl-9-pent-4-yn-2-ylpurin-6-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426757; SCHEMBL17897925; BDBM50087525
Click to Show/Hide
|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-fluoro-9-pent-4-ynyl-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193282; SCHEMBL14213883; BDBM50165281; 8-(2-chloro-3,4,5-trimethoxyphenylthio)-2-fluoro-9-(pent-4-ynyl)-9H-purin-6-amine
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|
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| Activity |
EC50 = 53100 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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|
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| Activity |
IC50 = 60400 nM
|
[4] | |||
| Compound Name |
8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL365159; 8-(6-Bromobenzo[d][1,3]dioxol-5-ylthio)-9-(pent-4-ynyl)-9H-purin-6-amine; PU-H58; SCHEMBL1855911; DTXSID70464953; ZINC6733279; BDBM50165272; 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-pent-4-ynylpurin-6-amine; 8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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| Activity |
EC50 = 65300 nM
|
[6] | |||
| Compound Name |
8-(2,5-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL273986; SCHEMBL1963758; BDBM50165279; 8-(2,5-dimethoxyphenyl)sulfanyl-9-pent-4-ynylpurin-6-amine
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| Activity |
EC50 = 66300 nM
|
[6] | |||
| Compound Name |
8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL192647; BDBM50165293
Click to Show/Hide
|
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| Activity |
EC50 ~ 75000 nM
|
[6] | |||
| Compound Name |
8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-fluoro-9-(2-isopropoxy-ethyl)-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL191786; BDBM50165264
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|
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| Activity |
EC50 ~ 75000 nM
|
[6] | |||
| Compound Name |
1-(2,4-Dihydroxyphenyl)-1,3-Dihydro-2h-Benzimidazol-2-One
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1802335; SCHEMBL4138083; BDBM50347499; 3-(2,4-dihydroxyphenyl)-1H-benzimidazol-2-one; Q27463112
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|
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| Activity |
IC50 = 85000 nM
|
[1] | |||
| Compound Name |
Nc1ncnc2n(CCCC#C)c(Oc3ccc(Cl)cc3Cl)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426761; SCHEMBL16486577; BDBM50087573
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3233482; BDBM50007741
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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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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
CCC(CC#C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426753; SCHEMBL16487020; BDBM50087521
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
2-(4-Hydroxycyclohexylamino)-4-(1-(quinolin-3-yl)isoquinolin-5-yl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3653960; SCHEMBL15367212; BDBM140508; US8912181, Comp. Ex. 1; 2-[(4-hydroxycyclohexyl)amino]-4-(1-quinolin-3-ylisoquinolin-5-yl)benzamide
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-[(4-Hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylquinazolin-8-yl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3653961; SCHEMBL15366796; BDBM140509; US8912181, Comp. Ex. 2
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| 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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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
2-(4-Hydroxycyclohexylamino)-4-(4-methoxyindol-1-yl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL4581642; CHEMBL3661196; SCHEMBL14177840; BDBM126165; US8779142, Comparative Example 2; 2-[(4-hydroxycyclohexyl)amino]-4-(4-methoxyindol-1-yl)benzamide
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
Nc1ncnc2n(CCCC#C)c(Cc3ccc(Cl)cc3Cl)nc12
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426762; SCHEMBL16486802; BDBM50087574
Click to Show/Hide
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Chembl4228653
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Investigative | Compound Info | ||
| Synonyms |
BDBM50460794
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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
|
[4] | |||
| Compound Name |
US9120780, Comparative Example 5
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL4581492; CHEMBL3894845; BDBM177752; 2-anilino-4-(5-methoxy-2-methylindol-1-yl)benzamide
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| 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
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4098757; D57; BDBM50270472
Click to Show/Hide
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| 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
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
8-(4-Chloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL426086; SCHEMBL17897929; BDBM50165298
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
5-N-(5-Chloro-2,4-dihydroxyphenyl)-3-N-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3233489; BDBM50007742
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
4-[8-[2-Chloro-5-(trifluoromethyl)phenyl]sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426773; BDBM50087705
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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
|
[4] | |||
| 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
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
N-[4-(2-Chloro-5-Methylpyrimidin-4-Yl)phenyl]-N-(4-{[(Difluoroacetyl)amino]methyl}benzyl)-2,4-Dihydroxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
VER-246608; CHEMBL3727577; GTPL9350; SCHEMBL16586236; BCP29722; EX-A3785; BDBM50236530; HY-12492; CS-0011787; VER 246608; VER246608; Q27465596
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
Chembl4226814
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50460796
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
Nc1ncnc2n(CCCC#C)c(nc12)C(=O)c1ccc(Cl)cc1Cl
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426763; SCHEMBL16487115; BDBM50087575
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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
|
[4] | |||
| Compound Name |
US8912181, Comp. Ex. 3
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3653962; SCHEMBL15367272; BDBM140510; 2-(ethylamino)-4-[1-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]isoquinolin-5-yl]benzamide
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| Compound Name |
Chembl4168274
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL21793896; BDBM210959; BDBM50450701; 4-(2-(2-hydroxybenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-4-hydroxycyclohexyl)amino)benzamide (8j)
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
US8779142, Comparative Example 5
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3661199; BDBM126168
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| Compound Name |
CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426755; SCHEMBL16486667; BDBM50087523
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
2-(4-Hydroxycyclohexylamino)-4-(6-methoxyindol-1-yl)benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL4581006; CHEMBL3661195; SCHEMBL14177838; BDBM126164; US8779142, Comparative Example 1; 2-[(4-hydroxycyclohexyl)amino]-4-(6-methoxyindol-1-yl)benzamide
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
CC(C)NCCCn1cnc(N)c2nc(Sc3ccc(C)cc3C)nc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426778; SCHEMBL16486659; BDBM50087717
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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
|
[4] | |||
| Compound Name |
5-N-(2,4-Dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3233490; BDBM50007743
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
3-Chloro-4-indol-1-ylbenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL4580698; CHEMBL3661200; BDBM126169; US8779142, Comparative Example 6
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| 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
|
[4] | |||
| Compound Name |
3-[2-Hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1802334; BDBM50347498
Click to Show/Hide
|
||||
| Activity |
IC50 = 127000 nM
|
[1] | |||
| Compound Name |
3-(2,5-Dihydroxyphenyl)-1H-benzimidazol-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1802336; BDBM50347500
Click to Show/Hide
|
||||
| Activity |
IC50 = 200000 nM
|
[1] | |||
| Compound Name |
3-(4-Chloro-2,5-dihydroxyphenyl)-1H-benzimidazol-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1802338; BDBM50347502
Click to Show/Hide
|
||||
| Activity |
IC50 = 200000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 20 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(4S)-4-(5-Ethyl-2,4-dihydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1831192; BDBM50353959
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
(4S)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1831188; BDBM50353955
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| 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
|
[4] | |||
| Compound Name |
(4S)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethoxyphenyl)azetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1831187; BDBM50353961
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
(4S)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dihydroxyphenyl)azetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1831189; BDBM50353956
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
(4S)-4-(5-Ethyl-2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1831190; BDBM50353957
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
(3R,4S)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(5-ethyl-2,4-dihydroxyphenyl)-3-phenylazetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1831193; BDBM50353960
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
(4S)-1-(1,3-Benzodioxol-5-yl)-4-(5-ethyl-2,4-dihydroxyphenyl)azetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1831191; BDBM50353958
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
8-[(2,4-Dimethylphenyl)sulfanyl]-3-Pent-4-Yn-1-Yl-3h-Purin-6-Amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
pu-h54; CHEMBL4166329; 8-((2,4-Dimethylphenyl)thio)-3-(pent-4-yn-1-yl)-3H-purin-6-amine; C18H19N5S; SCHEMBL15110274; AOB4809; SYN5219; BDBM50450702; ZINC103552638; AS-16577; Q27464278; 8-(2,4-dimethylphenyl)sulfanyl-3-pent-4-ynylpurin-6-amine; 8-[(2,4-dimethylphenyl)sulfanyl]-3-(pent-4-yn-1-yl)-3H-purin-6-amine
Click to Show/Hide
|
||||
| Activity |
IC50 > 250000 nM
|
[12] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| 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
|
[4] | |||
| 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 = 308500 nM
|
[15] | |||
| Compound Name |
8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426740; SCHEMBL17897951; BDBM50087453
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[4] | |||
| Compound Name |
8-((3,5-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL192013; SCHEMBL16512971; BDBM50165268; 8-(3,5-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[4] | |||
| Compound Name |
4-[8-(2,4-Dichlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3426768; BDBM50087649
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[4] | |||
| Compound Name |
2-Chloro-9-methyl-9H-purin-6-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
2-chloro-9-methylpurin-6-amine; 6-Amino-2-chloro-9-methylpurine; 9H-Purin-6-amine, 2-chloro-9-methyl-; CHEMBL317398; 2-chloro-9-methyladenine; SCHEMBL129921; CTK5D1900; DTXSID70220410; ZINC6072445; BDBM50009702; MFCD18433373; AKOS006370683; DS-5349; 2-Chloro-9-methyl-9H-purin-6-ylamine; AK126966; W-203568
Click to Show/Hide
|
||||
| Activity |
IC50 > 1250000 nM
|
[16] | |||
| Compound Name |
Click to Show/Hide
|
Compound Info | |||
| Activity |
IC50 = 861330 nM
|
[3] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7503-6. | ||||
| REF 2 | LY294002-geldanamycin heterodimers as selective inhibitors of the PI3K and PI3K-related family. Bioorg Med Chem Lett. 2001 Apr 9;11(7):909-13. | ||||
| REF 3 | 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. | ||||
| REF 4 | 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 5 | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J Med Chem. 2017 Mar 23;60(6):2271-2286. | ||||
| REF 6 | Evaluation of 8-arylsulfanyl, 8-arylsulfoxyl, and 8-arylsulfonyl adenine derivatives as inhibitors of the heat shock protein 90. J Med Chem. 2005 Apr 21;48(8):2892-905. | ||||
| REF 7 | 4,5,6,7-Tetrahydro-isoxazolo-[4,5-c]-pyridines as a new class of cytotoxic Hsp90 inhibitors. Eur J Med Chem. 2014 Apr 9;76:53-60. | ||||
| REF 8 | US patent application no. 8912181B2, Bicyclic compound or salt thereof | ||||
| REF 9 | US patent application no. 9120780B2, Indole or indazole derivative or salt thereof | ||||
| REF 10 | Design and synthesis of triple inhibitors of janus kinase (JAK), histone deacetylase (HDAC) and Heat Shock Protein 90 (HSP90). Bioorg Med Chem Lett. 2018 May 1;28(8):1357-1362. | ||||
| REF 11 | Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding. J Med Chem. 2018 Apr 12;61(7):2793-2805. | ||||
| REF 12 | Discovery of a Potent Grp94 Selective Inhibitor with Anti-Inflammatory Efficacy in a Mouse Model of Ulcerative Colitis. J Med Chem. 2018 Nov 8;61(21):9513-9533. | ||||
| REF 13 | US patent application no. 8779142B2, Azabicyclo compound and salt thereof | ||||
| REF 14 | Lead identification of -lactam and related imine inhibitors of the molecular chaperone heat shock protein 90. Bioorg Med Chem. 2011 Oct 15;19(20):6055-68. | ||||
| 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 | Rational Design of Selective Adenine-Based Scaffolds for Inactivation of Bacterial Histidine Kinases. J Med Chem. 2017 Oct 12;60(19):8170-8182. | ||||
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