Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50300381'   

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))	BDBM50300381 ((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...) Show SMILES CC(CCCCCCC(C)C(=O)Oc1ccc2CC3[C@@H]4CCC[C@@H]5Oc1c2[C@]45CCN3CC=C)C(=O)Oc1ccc2CC3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:58:57:43:49.50.51,THB:25:26:19:28.29.30,15:16:19:28.29.30| Show InChI InChI=1S/C52H70N2O5/c1-4-27-53-29-26-52-41-18-12-19-46(52)59-48-45(23-21-38(47(48)52)31-44(41)53)58-50(56)35(3)14-8-6-5-7-13-34(2)49(55)57-39-22-20-37-30-43-40-17-9-10-24-51(40,42(37)32-39)25-28-54(43)33-36-15-11-16-36/h4,20-23,32,34-36,40-41,43-44,46H,1,5-19,24-31,33H2,2-3H3/t34?,35?,40-,41-,43?,44?,46-,51+,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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
					More data for this Ligand-Target Pair