BDBM50255146 CHEMBL482002::N-(2-aminophenyl)-4-((2-(methylthio)-6-(pyridin-3-yl)pyrimidin-4-ylamino)methyl)benzamide

SMILES: CSc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc(n1)-c1cccnc1

InChI Key: InChIKey=GYEGRQLWDACTGM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255146   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50255146 (CHEMBL482002 | N-(2-aminophenyl)-4-((2-(methylthio...) Show SMILES CSc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc(n1)-c1cccnc1 Show InChI InChI=1S/C24H22N6OS/c1-32-24-29-21(18-5-4-12-26-15-18)13-22(30-24)27-14-16-8-10-17(11-9-16)23(31)28-20-7-3-2-6-19(20)25/h2-13,15H,14,25H2,1H3,(H,28,31)(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Bioorg Med Chem Lett 19: 644-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.048 BindingDB Entry DOI: 10.7270/Q2PN95J1
					More data for this Ligand-Target Pair