Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor corepressor 1' and Ligand = 'BDBM50437826'   

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
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437826 (CHEMBL2407731) Show SMILES CC(C)(C)OC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N6O4/c1-31(2,3)41-30(40)37-26(16-21-18-33-24-10-6-4-8-22(21)24)28(39)36-29(37)34-17-19-12-14-20(15-13-19)27(38)35-25-11-7-5-9-23(25)32/h4-15,18,33,39H,16-17,32H2,1-3H3,(H,34,36)(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
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