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SMILES: ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)C(O)=O)cc1

InChI Key: InChIKey=XYFCZPVZOGHAKD-MDZDMXLPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350815   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50350815
PNG
(CHEMBL1819254)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C21H21N3O4/c25-19(24-28)10-9-14-5-7-15(8-6-14)13-22-12-11-17-16-3-1-2-4-18(16)23-20(17)21(26)27/h1-10,22-23,28H,11-13H2,(H,24,25)(H,26,27)/b10-9+
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Article
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n/an/a 23n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of HDAC1

J Med Chem 54: 4752-72 (2011)


Article DOI: 10.1021/jm200388e
BindingDB Entry DOI: 10.7270/Q23N24DW
More data for this
Ligand-Target Pair