Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50321032'   

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))	BDBM50321032 ((2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(3-phenylpr...) Show SMILES COc1ccc(cc1)[C@H]1CN2[C@@H](C)CN=C2N1CCCc1ccccc1 |r,c:15| Show InChI InChI=1S/C22H27N3O/c1-17-15-23-22-24(14-6-9-18-7-4-3-5-8-18)21(16-25(17)22)19-10-12-20(26-2)13-11-19/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3/t17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem 18: 4446-52 (2010) Article DOI: 10.1016/j.bmc.2010.04.069 BindingDB Entry DOI: 10.7270/Q23X87MV
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