Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50303607'   

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))	BDBM50303607 (3-Benzyl-3,4-dihydro-2H-benzo[e][1,3]oxazinemorphi...) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2CN(Cc4ccccc4)COc2cc31 |r,TLB:0:1:12.28.11:9| Show InChI InChI=1S/C26H32N2O/c1-27-12-11-26-10-6-5-9-22(26)24(27)14-20-13-21-17-28(16-19-7-3-2-4-8-19)18-29-25(21)15-23(20)26/h2-4,7-8,13,15,22,24H,5-6,9-12,14,16-18H2,1H3/t22-,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	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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