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SMILES: Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1cccs1

InChI Key: InChIKey=VTOZBOIEYVACML-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 172821   
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))		BDBM172821
PNG
(US9096559, 56)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1cccs1
Show InChI InChI=1S/C26H24N4O2S/c27-22-11-10-21(24-4-2-14-33-24)15-23(22)30-26(32)20-8-5-19(6-9-20)17-29-25(31)12-7-18-3-1-13-28-16-18/h1-6,8-11,13-16H,7,12,17,27H2,(H,29,31)(H,30,32)
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Similars
US Patent
n/an/a 13n/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