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SMILES: Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccccn2)cc1)-c1cccs1

InChI Key: InChIKey=BVVSBLLOVAAAOJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 172819   
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))		BDBM172819
PNG
(US9096559, 54)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccccn2)cc1)-c1cccs1
Show InChI InChI=1S/C25H22N4O2S/c26-21-11-10-19(23-5-3-13-32-23)14-22(21)29-25(31)18-8-6-17(7-9-18)16-28-24(30)15-20-4-1-2-12-27-20/h1-14H,15-16,26H2,(H,28,30)(H,29,31)
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MMDB

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Similars
US Patent
n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...

US Patent US9096559 (2015)


BindingDB Entry DOI: 10.7270/Q2K07317
More data for this
Ligand-Target Pair