Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50136589'   

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))	BDBM50136589 (3-[(3R,4R)-1-(3-Hydroxy-benzyl)-3,4-dimethyl-piper...) Show SMILES C[C@H]1CN(Cc2cccc(O)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O Show InChI InChI=1S/C21H26N2O2/c1-15-13-23(14-16-5-3-8-19(24)11-16)10-9-21(15,2)18-7-4-6-17(12-18)20(22)25/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H2,22,25)/t15-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	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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