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SMILES: CSc1nnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)[nH]1

InChI Key: InChIKey=RIPIPRQPCXZJSL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50232662   
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))		BDBM50232662
PNG
(CHEMBL253910 | N-(2-aminophenyl)-4-((5-(methylthio...)
Show SMILES CSc1nnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)[nH]1
Show InChI InChI=1S/C17H18N6OS/c1-25-17-21-16(22-23-17)19-10-11-6-8-12(9-7-11)15(24)20-14-5-3-2-4-13(14)18/h2-9H,10,18H2,1H3,(H,20,24)(H2,19,21,22,23)
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MMDB

NCI pathway
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n/an/a 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1

Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair