Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50136596'   

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))	BDBM50136596 (3-[(3R,4R)-3,4-Dimethyl-1-(3-phenyl-butyl)-piperid...) Show SMILES CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)c1ccccc1 Show InChI InChI=1S/C24H32N2O/c1-18(20-8-5-4-6-9-20)12-14-26-15-13-24(3,19(2)17-26)22-11-7-10-21(16-22)23(25)27/h4-11,16,18-19H,12-15,17H2,1-3H3,(H2,25,27)/t18?,19-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.				Bioorg Med Chem Lett 13: 4459-62 (2003) BindingDB Entry DOI: 10.7270/Q2RV0P7G
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