Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50136586'   

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))	BDBM50136586 (CHEMBL138750 | N-[3-((3R,4R)-3,4-Dimethyl-1-phenet...) Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-20-8-5-4-6-9-20)15-13-23(18,3)21-10-7-11-22(16-21)24-19(2)26/h4-11,16,18H,12-15,17H2,1-3H3,(H,24,26)/t18-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.10E+3	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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