Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50257115'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257115 (CHEMBL474046 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C28H23N7O2S/c1-17-8-10-20(13-24(17)35-28-32-16-25(38-28)18-5-4-12-30-14-18)33-26(36)19-9-11-23(31-15-19)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,32,35)(H,33,36)(H,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
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