Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50136587'   

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))	BDBM50136587 (3-((3R,4R)-3,4-Dimethyl-1-quinolin-2-ylmethyl-pipe...) Show SMILES C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(c1)C(N)=O Show InChI InChI=1S/C24H27N3O/c1-17-15-27(16-21-11-10-18-6-3-4-9-22(18)26-21)13-12-24(17,2)20-8-5-7-19(14-20)23(25)28/h3-11,14,17H,12-13,15-16H2,1-2H3,(H2,25,28)/t17-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	600	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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