Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T16902 | Target Info | |||
| Target Name | Histone acetyltransferase KAT2B (KAT2B) | ||||
| Synonyms |
Spermidine acetyltransferase KAT2B; PCAF; P300/CBP-associated factor; P/CAF; Lysine acetyltransferase 2B; Histone acetyltransferase PCAF; Histone acetylase PCAF
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| Target Type | Literature-reported Target | ||||
| Gene Name | KAT2B | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 27 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
PMID26394986-Compound-44
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Patented | Compound Info | ||
| Activity |
IC50 = 60000 nM
|
[1] | |||
| Compound Name |
Plumbagin
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Investigative | Compound Info | ||
| Synonyms |
Plumbagin; 481-42-5; Plumbagine; 5-Hydroxy-2-methyl-1,4-naphthoquinone; Plumbaein; Plumbagone; 2-Methyljuglone; 5-hydroxy-2-methylnaphthalene-1,4-dione; 5-Hydroxy-2-methyl-1,4-naphthalenedione; 5-Hydroxy-2-methyl-[1,4]naphthoquinone; 1,4-Naphthalenedione, 5-hydroxy-2-methyl-; 2-Methyl-5-hydroxy-1,4-naphthoquinone; UNII-YAS4TBQ4OQ; NSC 688284; NSC 236613; CCRIS 6671; YAS4TBQ4OQ; EINECS 207-569-6; BRN 1870475; AI3-38055; CHEBI:8273; CHEMBL295316; VCMMXZQDRFWYSE-UHFFFAOYSA-N; 1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-; NSC688284
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
2-Benzyl-6-nitro-1,2-benzothiazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1795799; Ambinter 455691; Oprea1_357448; BDBM50346560; AKOS024269490; MCULE-3632776541; EU-0052509; SR-01000090624; SR-01000090624-1
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| Activity |
IC50 = 51300 nM
|
[2] | |||
| Compound Name |
5-Azidomethyl-2-phenylisothiazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL489495; BDBM50247585
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| Activity |
IC50 = 58000 nM
|
[3] | |||
| Compound Name |
8-[(5Z)-5-[1-[(4-Methylphenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]octanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221338
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| Activity |
IC50 = 63700 nM
|
[4] | |||
| Compound Name |
1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-
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Investigative | Compound Info | ||
| Synonyms |
4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid; 4-(3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid; 4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid; ACMC-20li7r; CHEMBL3621673; CTK3A0800; DTXSID30332745; ZINC6583570; BBL032056; STK943042; AKOS004911493; CCG-200118; MCULE-6897975982; VS-10950; SR-01000143920; SR-01000143920-1; Butyric acid, 4-(3-oxo-3H-benzo[d]isothiazol-2-yl)-; 4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid; 4-[(2,3-Dihydro-3-oxo-1,2-benzisothiazol)-2-yl]butanoic acid
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| Activity |
IC50 = 67000 nM
|
[5] | |||
| Compound Name |
6-{(5Z)-5-[1-(4-Methylbenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221334; ZINC1769377; STK880889; AKOS002271537
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| Activity |
IC50 = 67200 nM
|
[4] | |||
| Compound Name |
1-Methyl-2-quinolone
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Investigative | Compound Info | ||
| Synonyms |
1-METHYL-2-QUINOLINONE; 1-METHYLQUINOLIN-2(1H)-ONE; N-Methylcarbostyril; 1-methylquinolin-2-one; 1-Methyl-2(1H)-quinolinone; 2(1H)-Quinolinone, 1-methyl-; 1-Methylcarbostyril; Carbostyril, 1-methyl-; 1-Methyl-2(1H)-quinolone; 1-methyl-1,2-dihydroquinolin-2-one; UNII-UQ470VV48X; 2(1H)-Quinolinone, methyl-; MLS002637847; CHEMBL216146; UQ470VV48X; MFCD00024051; 1-methylhydroquinolin-2-one; NSC 5873; N-methyl-2-quinolone; PubChem15912; AI3-24119; 1-methyl-quinolin-2-one; N-Methyl-quinolin-2-one; C3b N-Methyl-2-quinolone; 2-Hydroxy-1-methylquinoline; ACMC-1BH74; 1-methyl-1H-quinolin-2-one; SCHEMBL248619; DTXSID1060552; Carbostyril, 1-methyl- (8CI); CTK2I8695; QYEMNJMSULGQRD-UHFFFAOYSA-; NSC5873; HMS3604D09; ZINC336851; ALBB-032305; NSC-5873; BBL019043; BDBM50157646; SBB087359; STK736383; AKOS000276919; CS-W023164; DB04580; HR-0330; MCULE-8485036701; SMR001547359; DB-053678; ST4129070; FT-0632523; H2834; 606M439; A832822; AO-840/40233519; Q27095322; F3308-4039
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| Activity |
IC50 = 70000 nM
|
[6] | |||
| Compound Name |
N'-(2-Methyl-5-nitrophenyl)propane-1,3-diamine;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL515087; CHEMBL3221742
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| Activity |
IC50 = 77800 nM
|
[7] | |||
| Compound Name |
6-[(5Z)-5-[1-[(4-Nitrophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221336
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| Activity |
IC50 = 78200 nM
|
[4] | |||
| Compound Name |
2-[(4-Fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1795620; BDBM50346575
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|
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| Activity |
IC50 = 86300 nM
|
[2] | |||
| Compound Name |
6-{(5Z)-5-[1-(4-Fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221317; ZINC1820778; STK706542; AKOS005178237
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| Activity |
IC50 = 97700 nM
|
[4] | |||
| Compound Name |
4-Cyano-N-(1,3-diethyl-2-oxoquinolin-6-yl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4059509; BDBM50249797
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
2-[4-[2-[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3775244; SCHEMBL13856622; BDBM50151659; MCULE-7371142363
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-[(3,4-Difluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1795621; BDBM50346576
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| Activity |
IC50 = 101000 nM
|
[2] | |||
| Compound Name |
4-Methoxymethyl-2-phenyl-isothiazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL489896; BDBM50247589
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| Activity |
IC50 = 102000 nM
|
[3] | |||
| Compound Name |
3-(4-Methoxy-2-nitrophenoxy)propan-1-amine;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL514848; CHEMBL3221758
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| Activity |
IC50 = 102700 nM
|
[7] | |||
| Compound Name |
Ac-Lys(CoA)-NH2
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL505121; BDBM50255529; Ac-Lys(CoA)-NH2; (Acyl-CoA); [M+H]+;
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| Activity |
IC50 = 108300 nM
|
[8] | |||
| Compound Name |
5-Hydroxymethyl-2-phenylisothiazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL445189; BDBM50247910
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| Activity |
IC50 = 109000 nM
|
[3] | |||
| Compound Name |
[[(3S)-4-[[3-[2-[[1-[(5S)-5-[[2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamidopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]-6-[[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-oxohexyl]triazol-4-yl]methylsulfanyl]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3098705; BDBM50445038
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| Activity |
IC50 = 117000 nM
|
[9] | |||
| Compound Name |
3-(2-Nitrophenoxy)propan-1-amine;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL514900; CHEMBL3221756
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| Activity |
IC50 = 125600 nM
|
[7] | |||
| Compound Name |
2-[[4-(Trifluoromethyl)phenyl]methyl]isothiazolo[5,4-b]pyridin-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1795624; PU141; SCHEMBL20771543; BDBM50346559
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| Activity |
IC50 = 130000 nM
|
[5] | |||
| Compound Name |
Cambridge id 5139258
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Investigative | Compound Info | ||
| Synonyms |
BIM-0007523.P001; SCHEMBL515575; CHEMBL3221743; AKOS000439518; MCULE-6027103476; SR-01000196674; SR-01000196674-1
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| Activity |
IC50 = 145900 nM
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[7] | |||
| Compound Name |
Chembl4170179
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Investigative | Compound Info | ||
| Synonyms |
BDBM50282628
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| Activity |
IC50 = 160000 nM
|
[10] | |||
| Compound Name |
5-Acetoxymethyl-2-phenylisothiazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL491476; BDBM50247914
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| Activity |
IC50 = 162000 nM
|
[3] | |||
| Compound Name |
3-(4-Methyl-2-nitrophenoxy)propan-1-amine;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL514377; CHEMBL3221757
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| Activity |
IC50 = 180000 nM
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[7] | |||
| Compound Name |
Chembl4170165
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Investigative | Compound Info | ||
| Synonyms |
BDBM50282492
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| Activity |
IC50 = 200000 nM
|
[10] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 12 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-AMINOPHENOL
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Investigative | Compound Info | ||
| Synonyms |
4-aminophenol; 123-30-8; p-aminophenol; 4-hydroxyaniline; p-hydroxyaniline; Phenol, 4-amino-; Paranol; Certinal; Citol; Azol; 4-aminobenzenol; Fouramine P; Ursol P Base; Rodinal; p-Hydroxyphenylamine; Benzofur P; Fourrine P Base; Pelagol P Base; Tertral P Base; Ursol P; Furro P Base; Nako Brown R; Durafur Brown RB; 4-Amino-1-hydroxybenzene; Renal AC; Fourrine 84; Phenol, p-amino-; Zoba Brown P Base; 4-AMINO-PHENOL; UNAL; C.I. Oxidation Base 6; 1-Amino-4-hydroxybenzene; Pelagol Grey P Base; BASF Ursol P Base; p-Aminofenol; Para-aminophenol
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| Activity |
IC50 > 500000 nM
|
[10] | |||
| Compound Name |
2,5-Diphenylisothiazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL500224; 2,5-diphenylisothiazol-3-one; cid_15294640; KUC105407N; 2,5-diphenyl-1,2-thiazol-3-one; BDBM50247587; KSC-6-160; CHEMBL500224 (14)
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
4-Methyl-5-methoxy-2-phenyl-isothiazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL490884; BDBM50247614
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
5-Phenylureidomethyl-2-phenylisothiazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL521918; BDBM50247583
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
5-Methyl-2-phenylisothiazol-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL489895; cid_44564011; KUC105338N; BDBM50247586; KSC-6-143; 5-Methyl-2-N-Phenylisothiazol-3(2H)-one
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
3-(5-Methyl-2-nitrophenoxy)propan-1-amine;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL514985; CHEMBL3221760
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| Activity |
IC50 = 203600 nM
|
[7] | |||
| Compound Name |
3-(4-Chloro-2-nitrophenoxy)propan-1-amine;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL515005; CHEMBL3221759
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| Activity |
IC50 = 215100 nM
|
[7] | |||
| Compound Name |
4-Nitro-1-naphthol
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Investigative | Compound Info | ||
| Synonyms |
4-nitronaphthalen-1-ol; 1-Naphthalenol, 4-nitro-; 1-Hydroxy-4-nitronaphthalene; 4-nitronaphthol; CHEMBL2312200; 4-Nitronaphthalenol; NSC400336; PubChem13796; ACMC-209mko; 4-nitro-1-naphthalenol; 4-nitro-naphthalen-1-ol; 1-Naphthalenol,4-nitro-; 4-nitro-1-hydroxynaphthalene; SCHEMBL589663; CTK5B1742; DTXSID00209238; ACN-S002712; ALBB-014693; ANW-33526; BBL101777; BDBM50425036; MFCD02179392; SBB067137; STL555574; ZINC35193837; AKOS005174640; MCULE-5007401844; NSC-400336; AC-29203; AS-13065; SC-45968; AB0012922; DB-053652; AM20040822; FT-0632516; N0672; R5601; ST50408514; A832781; F1905-7194; Z2607956390
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| Activity |
IC50 = 221000 nM
|
[10] | |||
| Compound Name |
4-Methoxynaphthalen-1-amine hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
1-Amino-4-methoxynaphthalen HCl; 4-methoxynaphthalen-1-amine;hydrochloride; 1-amino-4-methoxynaphthalene hydrochloride; 4-methoxy-1-aminonaphthalene hydrochloride; F2146-0572; SCHEMBL6155452; CHEMBL4175261; CTK8B6526; DTXSID80596214; ANW-53598; MFCD16877105; AKOS015999240; MCULE-5355245253; 1-Amino-4-methoxynaphthalen hydrochloride; V9189; 1-Naphthalenamine, 4-methoxy-, hydrochloride; B-8333; 4-Methoxynaphthalen-1-amine--hydrogen chloride (1/1); Z2681942354
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| Activity |
IC50 > 500000 nM
|
[10] | |||
| Compound Name |
Chembl4163878
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Investigative | Compound Info | ||
| Synonyms |
BDBM50282493
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| Activity |
IC50 > 500000 nM
|
[10] | |||
| Compound Name |
(Z)-2-Hydroxy-6-(4-(pentyloxy)styryl)benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1214674; BDBM50324038; ZINC58563493; 2-hydroxy-6-[(1Z)-2-[4-(pentyloxy)phenyl]ethenyl]-benzoicacid
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| Activity |
IC50 = 662000 nM
|
[11] | |||
| Compound Name |
2-Hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL455368; 2-hydroxy-6-((8Z,11Z)-pentadeca-8,11,14-trienyl)benzoic acid; 6-[8(Z),11(Z),14-pentadecatrienyl]salicylic acid; 6-{8(Z),11(Z),14-pentadecatrienyl}salicylic acid; MEGxp0_000812; SCHEMBL4142096; ACon1_001118; DTXSID70872877; 2-Pentadecyl-6-hydroxybenzoic acid; BDBM50292429; LMPK15040001; ZINC17198574; MCULE-7532607179; NCGC00169660-01; NCGC00169660-02; Q527648; (15:3)-Anacardic acid, >=85% (LC/MS-ELSD); BRD-K93380348-001-01-8; 6[8''(Z ),11''(Z ),14''-pentadecatrienyl]salicylicacid; 2-hydroxy-6-(8Z,11Z)-8,11,14-pentadecatrien-1-yl-benzoicacid; 2-Hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid
Click to Show/Hide
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| Activity |
IC50 = 667050 nM
|
[8] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | KATching-Up on Small Molecule Modulators of Lysine Acetyltransferases. J Med Chem. 2016 Feb 25;59(4):1249-70. | ||||
| REF 2 | Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors. Bioorg Med Chem. 2011 Jun 15;19(12):3678-89. | ||||
| REF 3 | Synthesis of isothiazol-3-one derivatives as inhibitors of histone acetyltransferases (HATs). Bioorg Med Chem. 2009 Jan 15;17(2):467-74. | ||||
| REF 4 | Rhodanine carboxylic acids as novel inhibitors of histone acetyltransferases. Medchemcomm. 2012;3:305-11. | ||||
| REF 5 | Pyrido- and benzisothiazolones as inhibitors of histone acetyltransferases (HATs). Medchemcomm. 2014;5:1856-62. | ||||
| REF 6 | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J Med Chem. 2017 Jan 26;60(2):668-680. | ||||
| REF 7 | Small organic molecules targeting PCAF bromodomain as potent inhibitors of HIV-1 replication. Medchemcomm. 2013;4:737-40. | ||||
| REF 8 | Bisubstrate Inhibitors of the MYST HATs Esa1 and Tip60. Bioorg Med Chem. 2009 Feb 1;17(3):1381-6. | ||||
| REF 9 | Azide-alkyne cycloaddition affording enzymatically tunable bisubstrate based inhibitors of histone acetyltransferase PCAF. Bioorg Med Chem Lett. 2014 Jan 1;24(1):113-6. | ||||
| REF 10 | The relevance of K i calculation for bi-substrate enzymes illustrated by kinetic evaluation of a novel lysine (K) acetyltransferase 8 inhibitor. Eur J Med Chem. 2017 Aug 18;136:480-486. | ||||
| REF 11 | Improved inhibition of the histone acetyltransferase PCAF by an anacardic acid derivative. Bioorg Med Chem. 2010 Aug 15;18(16):5826-34. | ||||
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