Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28052 | Target Info | |||
| Target Name | Lysine-specific demethylase 5A (KDM5A) | ||||
| Synonyms |
Retinoblastoma-binding protein 2; RBP2; RBBP2; RBBP-2; Jumonji/ARID domain-containing protein 1A; JARID1A; Histone demethylase JARID1A
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| Target Type | Patented-recorded Target | ||||
| Gene Name | KDM5A | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 26 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Amiodarone
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Approved | Compound Info | ||
| Synonyms |
Amidorone; Aminodarone; Amiobeta; Amiodarex; Amiodarona; Amiodarons; Amiodaronum; Amiohexal; Amjodaronum; Ancar; Aratac;Arycor; Braxan; Corbionax; Cordarex; Cordarone; Kordaron; Labaz; Ortacrone; Pacerone; Rytmarone; Sedacoron; Sedacorone; Tachydaron; ASTA Medica Brand of Amiodarone Hydrochloride; Alphapharm Brand of Amiodarone Hydrochloride; Amiodarone Base; Armstrong Brand of Amiodarone Hydrochloride; Berenguer Infale Brand of Amiodarone Hydrochloride; Betapharm Brand of Amiodarone Hydrochloride; Cordarone Intravenous; G Gam Brand of Amiodarone Hydrochloride; Hexal Brand of Amiodarone Hydrochloride; Leurquin Brand of Amiodarone Hydrochloride; Pharma Investi Brand of Amiodarone Hydrochloride; Sanofi Winthrop Brand of Amiodarone Hydrochloride; Wyeth Brand of Amiodarone Hydrochloride; Ethylaminoethoxy)benzoyl]benzofuran; L 3428; L3428; SKF 33134A; Amio-Aqueous IV; Amiodarona [INN-Spanish]; Amiodaronum [INN-Latin]; Aratac (TN); Arycor (TN); Atlansil (TN); Cordarone (TN); L-3428; Pacerone (TN); Pms-Amiodarone; SKF 33134-A; Amiodarone (USAN/INN); Amiodarone [USAN:BAN:INN]; Ketone, 2-butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl; Ketone, 2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl (7CI,8CI); (2-Butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diidophenyl)methanone; (2-butyl-1-benzofuran-3-yl)(4-{[2-(diethylamino)ethyl]oxy}-3,5-diiodophenyl)methanone; (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone; (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone; (2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodo-phenyl]-methanone; (2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}ethyl)diethylamine; 2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran; 2-Butyl-3-(3,5-diiodo-4-(beta-diethylaminoethoxy)benzoyl)benzofuran; 2-Butyl-3-(4'-beta-N-diethylaminoethoxy-3',5'-diiodobenzoyl)benzofuran; 2-Butyl-3-[3,5-diiodo-4-(2-di; 2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone; 2-Butyl-3-benzofuranyl p-((2-diethylamino)ethoxy)-m,m-diiodophenyl ketone; 2-Butyl-3-benzofuranyl p-[(2-diethylamino)ethoxy]-m,m-diiodophenyl ketone; 2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran
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| Activity |
IC50 = 99000 nM
|
[1] | |||
| Compound Name |
Pyridine-2,4-dicarboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
Pyridine-2,4-dicarboxylic acid; 499-80-9; 2,4-PYRIDINEDICARBOXYLIC ACID; Lutidinic acid; 2,4-Lutidinic acid; UNII-AFI29F0TVL; AFI29F0TVL; CHEBI:44737; EC 207-892-2; MJIVRKPEXXHNJT-UHFFFAOYSA-N; MFCD00149413; 2,4-Pyridinedicarboxylic acid hydrate, 99+%; 2,4-Pyridinedicarboxylicacid, hydrate (1:1); 4nrq; PD2; EINECS 207-892-2; NSC 403248; PubChem16314; 4-carboxypicolinic acid; 2vd7; 4ie0; 2w2i; pyridine carboxylate, 6a; AC1Q5UFW; ACMC-1BNB9; AC1L1V1N; 2,4-Pyridine-dicarboxylate; SCHEMBL72377; cid_10365; MLS000078055; GTPL8744
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| Activity |
IC50 = 100000 nM
|
[2] | |||
| 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
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| Activity |
IC50 = 110000 nM
|
[3] | |||
| Compound Name |
Chembl4299285
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Chembl4299338
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 50000 nM
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[4] | |||
| Compound Name |
2-[5-[2-(3-Methoxyphenyl)ethanoylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3775272; 9CJ; BDBM50151397
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| Activity |
IC50 = 52000 nM
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[5] | |||
| Compound Name |
3-[3-[Butyl(methyl)amino]propanoyl-hydroxyamino]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3590419; BDBM50095452
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| Activity |
IC50 = 53000 nM
|
[6] | |||
| Compound Name |
3-(9-Cycloheptylnonanoylhydroxyamino)propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424815; BDBM50440286
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| Activity |
IC50 = 55000 nM
|
[2] | |||
| 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-
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| Activity |
IC50 = 55000 nM
|
[2] | |||
| Compound Name |
Methyl 3-[hydroxy-[5-[methyl(pentyl)amino]pentanoyl]amino]propanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3590432; BDBM50095460
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| Activity |
IC50 = 63000 nM
|
[6] | |||
| Compound Name |
2-(Methylamino)-7-[3-(3-phenoxyphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793686; ZINC5879405; BDBM50163388; AP-355/40962679
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| Activity |
IC50 = 64000 nM
|
[7] | |||
| 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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| Activity |
IC50 = 64000 nM
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[2] | |||
| Compound Name |
Chembl4283844
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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
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| Activity |
IC50 = 71000 nM
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[3] | |||
| Compound Name |
Chembl4130224
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273478
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| Activity |
Ki = 74000 nM
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[1] | |||
| Compound Name |
Chembl4129540
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Investigative | Compound Info | ||
| Activity |
IC50 = 82000 nM
|
[1] | |||
| Compound Name |
Chembl4294426
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Investigative | Compound Info | ||
| Synonyms |
BDBM50468053
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| Activity |
IC50 = 83000 nM
|
[3] | |||
| Compound Name |
3-Chloro-1-(2,3-dimethylphenyl)-4-(ethylanilino)-1H-pyrrole-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793454; ZINC645410; BDBM50163436; AKOS002321481; MCULE-2905705641; ST50322186; AP-906/40928122; 1-(2,3-dimethylphenyl)-3-chloro-4-(ethylphenylamino)azoline-2,5-dione
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| Activity |
IC50 = 83000 nM
|
[7] | |||
| 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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| Activity |
IC50 = 93000 nM
|
[2] | |||
| Compound Name |
3-(9-Cyclohexylnonanoylhydroxyamino)propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424814; BDBM50440287
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| Activity |
IC50 = 100000 nM
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[2] | |||
| Compound Name |
Chembl4276959
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Investigative | Compound Info | ||
| Synonyms |
BDBM50468051
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| Activity |
IC50 ~ 100000 nM
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[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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| Activity |
IC50 = 110000 nM
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[2] | |||
| Compound Name |
N-{(3S)-1-[5-(Propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4067490; SCHEMBL19513972; BDBM281088; US10022354, Example 28; ZINC669678957; NCGC00482458-01
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| Activity |
IC50 = 140000 nM
|
[8] | |||
| Compound Name |
Chembl4126951
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273475
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| Activity |
IC50 = 166000 nM
|
[1] | |||
| Compound Name |
2-[5-(2-Methoxyethanoylamino)-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3775380; 7WH; BDBM50151399
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| Activity |
IC50 = 180000 nM
|
[5] | |||
| Compound Name |
Chembl4129830
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273477
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| Activity |
IC50 = 198000 nM
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[1] | |||
| Compound Name |
Chembl4126135
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270475
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| Activity |
IC50 = 198000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 15 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-(carboxymethylamino)-2-oxoacetic acid
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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
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| Activity |
IC50 = 250000 nM
|
[6] | |||
| Compound Name |
daminozide
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Investigative | Compound Info | ||
| Synonyms |
DMASA; SADH; B 995; Alar; Kylar; B-NINE
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| Activity |
IC50 = 2200000 nM
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[2] | |||
| Compound Name |
3-(10-Methylundecanoylhydroxyamino)propionic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2424810; BDBM50440291
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| Activity |
IC50 = 210000 nM
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[2] | |||
| Compound Name |
Chembl4126235
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273472
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| Activity |
IC50 = 218000 nM
|
[1] | |||
| Compound Name |
Chembl4129980
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273474
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| Activity |
IC50 = 223000 nM
|
[1] | |||
| Compound Name |
2-(5-Acetamido-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3774598; S2X; BDBM50151401
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| Activity |
IC50 = 240000 nM
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[5] | |||
| Compound Name |
Chembl4127515
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273471
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| Activity |
IC50 = 314000 nM
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[1] | |||
| Compound Name |
Chembl4127792
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273473
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| Activity |
IC50 = 533000 nM
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[1] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1797646; BDBM50270478
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| Activity |
IC50 = 571000 nM
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[1] | |||
| Compound Name |
Chembl4126406
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273469
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| Activity |
IC50 = 844000 nM
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[1] | |||
| Compound Name |
Chembl4127094
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270479
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| Activity |
IC50 = 1146000 nM
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[1] | |||
| Compound Name |
Chembl4128152
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273476
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| Activity |
IC50 = 1310000 nM
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[1] | |||
| Compound Name |
Chembl4125836
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270476
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| Activity |
IC50 = 1577000 nM
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[1] | |||
| Compound Name |
Chembl4126240
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Investigative | Compound Info | ||
| Activity |
IC50 = 1658000 nM
|
[1] | |||
| Compound Name |
Chembl4128613
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Investigative | Compound Info | ||
| Synonyms |
BDBM50273470
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| Activity |
IC50 = 2305000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Investigations on small molecule inhibitors targeting the histone H3K4 tri-methyllysine binding PHD-finger of JmjC histone demethylases. Bioorg Med Chem. 2018 Jul 15;26(11):2984-2991. | ||||
| REF 2 | 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 3 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J Med Chem. 2018 Dec 13;61(23):10588-10601. | ||||
| REF 4 | Identification of SNAIL1 Peptide-Based Irreversible Lysine-Specific Demethylase 1-Selective Inactivators. J Med Chem. 2016 Feb 25;59(4):1531-44. | ||||
| REF 5 | Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors. J Med Chem. 2016 Feb 25;59(4):1580-98. | ||||
| REF 6 | Identification of Jumonji AT-Rich Interactive Domain 1A Inhibitors and Their Effect on Cancer Cells. ACS Med Chem Lett. 2015 Apr 23;6(6):665-70. | ||||
| REF 7 | Discovery of KDM5A inhibitors: Homology modeling, virtual screening and structure-activity relationship analysis. Bioorg Med Chem Lett. 2016 May 1;26(9):2284-8. | ||||
| REF 8 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J Med Chem. 2018 Apr 12;61(7):3193-3208. | ||||
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