Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50303621'   

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))	BDBM50303621 ((rac)-1-(17-N-Cyclobutylmethyl-3-hydroxymorphinan-...) Show SMILES OCCCCCCCCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:27:26:15.32.16:18| Show InChI InChI=1S/C32H51NO3/c34-19-10-6-4-2-1-3-5-7-15-30(35)26-20-25-21-29-27-14-8-9-16-32(27,28(25)22-31(26)36)17-18-33(29)23-24-12-11-13-24/h20,22,24,27,29-30,34-36H,1-19,21,23H2/t27-,29+,30?,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
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