Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133894'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50133894 (CHEMBL3634254) Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc34)ccc12 |r| Show InChI InChI=1S/C33H35N3O3/c1-20-15-26(38)16-21(2)28(20)19-30(34)33(39)35-31-13-14-36(22(3)37)32-12-11-23(18-29(31)32)17-25-9-6-8-24-7-4-5-10-27(24)25/h4-12,15-16,18,30-31,38H,13-14,17,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis				J Med Chem 58: 8952-69 (2015) Article DOI: 10.1021/acs.jmedchem.5b01270 BindingDB Entry DOI: 10.7270/Q2RR213J
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