Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50300376'   

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))	BDBM50300376 (Benzyl 17-((-)-N-Cyclobutylmethyl)morphinan-3-yl 2...) Show SMILES CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C42H59NO4/c1-40(2,38(44)46-30-32-15-8-7-9-16-32)22-11-5-6-12-23-41(3,4)39(45)47-34-21-20-33-27-37-35-19-10-13-24-42(35,36(33)28-34)25-26-43(37)29-31-17-14-18-31/h7-9,15-16,20-21,28,31,35,37H,5-6,10-14,17-19,22-27,29-30H2,1-4H3/t35-,37+,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
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