Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T18904 | Target Info | |||
| Target Name | Lysine-specific demethylase 4A (KDM4A) | ||||
| Synonyms |
KIAA0677; Jumonji domain-containing protein 2A; JmjC domain-containing histone demethylation protein 3A; JMJD2A; JMJD2; JHDM3A
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|
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| Target Type | Patented-recorded Target | ||||
| Gene Name | KDM4A | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 53 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Hydroxyqunoline analog 1
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|
Patented | Compound Info | ||
| Synonyms |
PMID25468267-Compound-41
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|
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| Activity |
IC50 = 86500 nM
|
[1] | |||
| Compound Name |
Chembl4208277
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454856
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4206582
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454850
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
8-Hydroxy-2-(1-methylpiperidine-4-carbonyl)quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634954; BDBM50133271
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|
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| Activity |
IC50 = 50000 nM
|
[3] | |||
| Compound Name |
Chembl4218774
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454858
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4205285
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454848
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4209558
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454851
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4209038
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454854
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4215000
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454855
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4208111
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454852
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4204694
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454844
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4218675
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454849
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|
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
2-[1-(1-Benzoylpiperidin-4-yl)triazol-4-yl]pyridine-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3621862; BDBM50498687
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|
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| Activity |
IC50 = 50118.72 nM
|
[4] | |||
| Compound Name |
8-[(4-Pyridin-2-ylpiperazin-1-yl)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3774688; BDBM50153119
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|
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| Activity |
IC50 = 58600 nM
|
[5] | |||
| Compound Name |
2-[1-(2-Phenylethyl)triazol-4-yl]pyridine-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3621857; BDBM50498689
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|
||||
| Activity |
IC50 = 63095.73 nM
|
[4] | |||
| Compound Name |
2-[1-(1-Benzoylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3621878; BDBM50498680
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|
||||
| Activity |
IC50 = 63095.73 nM
|
[4] | |||
| Compound Name |
3-(9-Phenylnonanoylhydroxyamino)propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424816; BDBM50440285; 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid
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|
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| Activity |
IC50 = 65000 nM
|
[6] | |||
| Compound Name |
Di-N-desethylamiodarone
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|
Investigative | Compound Info | ||
| Synonyms |
Di-N-desethyl Amiodarone; CHEMBL1598; [4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butyl-1-benzofuran-3-yl)methanone; Desdiethylamiodarone; Bisdesethylamiodarone; SCHEMBL7242769; BDBM18959; CTK8F9242; DTXSID90241425; ZINC14969359; L 33530; 3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2-butyl-1-benzofuran; Methanone, (4-(2-aminoethoxy)-3,5-diiodophenyl)(2-butyl-3-benzofuranyl)-
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|
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| Activity |
IC50 = 72000 nM
|
[7] | |||
| Compound Name |
Potassium;2-(1-benzyltriazol-4-yl)pyridine-4-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3621856; BDBM50498672
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|
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| Activity |
IC50 = 79432.82 nM
|
[4] | |||
| Compound Name |
2-[1-[1-(3-Phenylpropanoyl)piperidin-4-yl]triazol-4-yl]pyridine-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3621864; BDBM50498685
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|
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| Activity |
IC50 = 79432.82 nM
|
[4] | |||
| Compound Name |
8-Hydroxy-2-(3-morpholin-4-ylpropylcarbamoyl)quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634951; BDBM50133291
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|
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| Activity |
IC50 = 82000 nM
|
[3] | |||
| Compound Name |
3-(10-Methylundecanoylhydroxyamino)propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424809; BDBM50440292; 3-[hydroxy(10-methylundecanoyl)amino]propanoic acid
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|
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| Activity |
IC50 = 92000 nM
|
[6] | |||
| Compound Name |
3-(9-Cycloheptylnonanoylhydroxyamino)propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424815; BDBM50440286
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|
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| Activity |
IC50 = 99000 nM
|
[6] | |||
| Compound Name |
8-[(4-Phenylpiperazin-1-yl)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3775295; BDBM50153120
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
8-Hydroxy-2-[(3-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634938; BDBM50133277
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(Cyclohexylcarbamoyl)-8-hydroxyquinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634936; BDBM50133284
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
8-(Piperidin-1-ylmethyl)-3H-pyrido[3,4-d]pyrimidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3774418; BDBM50153150
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
8-Hydroxy-2-(phenylcarbamoyl)quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634933; BDBM50133270
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
8-Hydroxy-2-(naphthalen-1-ylcarbamoyl)quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634934; BDBM50133288
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[1-(1-Ethoxycarbonylpiperidin-4-yl)triazol-4-yl]pyridine-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3621859; BDBM50498669
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
2-[1-(1-Benzoylazetidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3621868; BDBM50498676
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Chembl4203936
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454847
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|
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| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[(2-Furylmethyl)amino]nicotinic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3774615; 2-((Furan-2-ylmethyl)amino)nicotinic acid; CTK7I9832; BDBM50153320; ZINC19770003; AKOS000213891
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|
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
8-Hydroxy-2-[(4-methylphenyl)carbamoyl]quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634941; BDBM50133274
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[(4-Fluorophenyl)carbamoyl]-8-hydroxyquinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634942; BDBM50133299
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(1-Benzylpyrazol-4-yl)oxy-3H-pyrido[2,3-d]pyrimidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3770732; SCHEMBL16082706; BDBM50149911
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
8-Hydroxy-2-[[4-(trifluoromethoxy)phenyl]carbamoyl]quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634945; BDBM50133297
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-(Decanoylhydroxyamino)propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424811; BDBM50440290; 3-[decanoyl(hydroxy)amino]propanoic acid
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|
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| Activity |
IC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[[4-(Dimethylamino)phenyl]carbamoyl]-8-hydroxyquinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634944; BDBM50133298
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
8-Hydroxy-2-[(4-methoxyphenyl)carbamoyl]quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634937; BDBM50133283
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(Benzylcarbamoyl)-8-hydroxyquinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634946; BDBM50133296
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[(3-Methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3774435; BDBM50153321
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-[(2-Fluorophenyl)carbamoyl]-8-hydroxyquinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634943; BDBM50133300
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
8-Hydroxy-2-[(3-methylphenyl)carbamoyl]quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634939; BDBM50133276
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[1-(2-Phenoxyethyl)triazol-4-yl]pyridine-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3621858; BDBM50498688
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
8-Hydroxy-2-[(2-methylphenyl)carbamoyl]quinoline-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3634940; BDBM50133275
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(2-Azanyl-1,3-Thiazol-4-Yl)pyridine-4-Carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3775782; 5UP; BDBM50153180; Q27456046
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|
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| Activity |
IC50 = 104200 nM
|
[5] | |||
| Compound Name |
Chembl4212908
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457513
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|
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| Activity |
EC50 = 105000 nM
|
[10] | |||
| Compound Name |
3-(10-Methylundecanoylhydroxyamino)propionic acid methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424810; BDBM50440291
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 120000 nM
|
[6] | |||
| Compound Name |
3-(N-Hydroxy-7-methyloctanamido)propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1215523; BDBM50324526; 3-[hydroxy(7-methyloctanoyl)amino]propanoic acid
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|
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| Activity |
IC50 = 120000 nM
|
[11] | |||
| Compound Name |
3-(9-Cyclohexylnonanoylhydroxyamino)propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424814; BDBM50440287
Click to Show/Hide
|
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| Activity |
IC50 ~ 120000 nM
|
[6] | |||
| Compound Name |
3-(9-Cyclopentylnonanoylhydroxyamino)propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424813; BDBM50440288
Click to Show/Hide
|
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| Activity |
IC50 ~ 120000 nM
|
[6] | |||
| Compound Name |
N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-beta-alanine
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|
Investigative | Compound Info | ||
| Synonyms |
TC-E 5002; NCDM-64; CHEMBL2424812; 3-(9-CYCLOPROPYL-N-HYDROXYNONANAMIDO)PROPANOIC ACID; SCHEMBL20493040; BDBM50440289; MFCD28166486; ZINC96284021; AKOS025142046; A16373; N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-?-alanine; 3-[9-cyclopropylnonanoyl(hydroxy)amino]propanoic acid; beta-Alanine, N-(9-cyclopropyl-1-oxononyl)-N-hydroxy-
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 120000 nM
|
[6] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 6 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-(carboxymethylamino)-2-oxoacetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
N-Oxalylglycine; 5262-39-5; Oxalylglycine; Oxaloglycine; 2-((Carboxymethyl)amino)-2-oxoacetic acid; UNII-VVW38EB8YS; N-(carboxycarbonyl)glycine; N-OXALYOLGLYCINE; VVW38EB8YS; 2-oxo-3-azaglutaric acid; CHEMBL90852; Glycine, N-(carboxycarbonyl)-; CHEBI:44482; OGA; C4H5NO5; 4idz; 4nrp; 2xml; 3hqr; N-oxalyl glycine, 1a; 2oq6; 1h2k; AC1MIVD0; Glycine,N-(carboxycarbonyl)-; SCHEMBL435820; BDBM26106; CTK8F0807; DTXSID20200601; MolPort-000-141-021; ZINC1534133; N-Oxalylglycine, > 4958AE
Click to Show/Hide
|
||||
| Activity |
IC50 = 250000 nM
|
[6] | |||
| Compound Name |
GSK-J1
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|
Investigative | Compound Info | ||
| Synonyms |
GSK-J1; GSK J1; 1373422-53-7; 3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoic acid; 3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid; 3-[[2-Pyridin-2-Yl-6-(1,2,4,5-Tetrahydro-3-Benzazepin-3-Yl)pyrimidin-4-Yl]amino]propanoic Acid; GSKJ1; GSKJ1; GSK-J1; MLS006010249; GTPL7027; SCHEMBL10157115; CHEMBL3188597; BDBM60875; EX-A571; AOB3940; CHEBI:131152; MolPort-023-278-906; EX-A1744; BCP08262; ZINC95616592; s7581; 2442AH; AKOS024458240
Click to Show/Hide
|
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| Activity |
IC50 = 400000 nM
|
[12] | |||
| Compound Name |
daminozide
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|
Investigative | Compound Info | ||
| Synonyms |
DMASA; SADH; B 995; Alar; Kylar; B-NINE
Click to Show/Hide
|
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| Activity |
IC50 > 3300000 nM
|
[6] | |||
| Compound Name |
Chembl4283844
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine; BDBM50468052; NCGC00420854-01; H6G
Click to Show/Hide
|
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| Activity |
IC50 = 230000 nM
|
[12] | |||
| Compound Name |
Chembl4294426
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50468053
Click to Show/Hide
|
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| Activity |
IC50 = 290000 nM
|
[12] | |||
| Compound Name |
Chembl4204908
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50457514
Click to Show/Hide
|
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| Activity |
EC50 = 1216000 nM
|
[10] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Development of second generation epigenetic agents. Medchemcomm. 2012;3:135-61. | ||||
| REF 2 | Structure-activity studies of a macrocyclic peptide inhibitor of histone lysine demethylase 4A. Bioorg Med Chem. 2018 Mar 15;26(6):1225-1231. | ||||
| REF 3 | Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem. 2015 Nov 13;105:145-55. | ||||
| REF 4 | Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm. 2014 Dec 1;5(12):1879-1886. | ||||
| REF 5 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J Med Chem. 2016 Feb 25;59(4):1388-409. | ||||
| REF 6 | Identification of the KDM2/7 histone lysine demethylase subfamily inhibitor and its antiproliferative activity. J Med Chem. 2013 Sep 26;56(18):7222-31. | ||||
| REF 7 | Recent Progress in Histone Demethylase Inhibitors. J Med Chem. 2016 Feb 25;59(4):1308-29. | ||||
| REF 8 | Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-pyridine Carboxylate Derivatives. J Med Chem. 2016 Feb 25;59(4):1357-69. | ||||
| REF 9 | Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives. J Med Chem. 2016 Feb 25;59(4):1370-87. | ||||
| REF 10 | Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach. Bioorg Med Chem Lett. 2018 Jun 1;28(10):1708-1713. | ||||
| REF 11 | Design, synthesis, enzyme-inhibitory activity, and effect on human cancer cells of a novel series of jumonji domain-containing protein 2 histone de... J Med Chem. 2010 Aug 12;53(15):5629-38. | ||||
| REF 12 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J Med Chem. 2018 Dec 13;61(23):10588-10601. | ||||
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