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SMILES: COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cn1

InChI Key: InChIKey=HYTVQRGWHWAIPX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373693   
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))		BDBM50373693
PNG
(CHEMBL403596)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cn1
Show InChI InChI=1S/C20H20N4O2/c1-26-19-11-10-16(13-23-19)22-12-14-6-8-15(9-7-14)20(25)24-18-5-3-2-4-17(18)21/h2-11,13,22H,12,21H2,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1

Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair