Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor corepressor 1' and Ligand = 'BDBM50437825'   

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))	BDBM50437825 (CHEMBL2407732) Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H26N6O3/c1-17(35)34-25(14-20-16-30-23-8-4-2-6-21(20)23)27(37)33-28(34)31-15-18-10-12-19(13-11-18)26(36)32-24-9-5-3-7-22(24)29/h2-13,16,30,37H,14-15,29H2,1H3,(H,31,33)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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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