Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50123600'   

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))	BDBM50123600 (CHEMBL3622718) Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCOCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C27H37IO8/c1-25-7-5-18-24(31)36-20(17-6-10-35-15-17)14-26(18,2)21(25)22(29)27(16-32-3,8-11-34-12-9-28)13-19(25)23(30)33-4/h6,10,15,18-21H,5,7-9,11-14,16H2,1-4H3/t18-,19+,20+,21+,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 25: 4689-92 (2015) Article DOI: 10.1016/j.bmcl.2015.06.092 BindingDB Entry DOI: 10.7270/Q2NV9M2W
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