Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50101616'   

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))	BDBM50101616 (1-(3-Allyloxymethyl-3,4-dihydro-1H-isoquinolin-2-y...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C Show InChI InChI=1S/C24H30N2O3/c1-4-9-29-15-20-12-18-7-5-6-8-19(18)14-26(20)24(28)23(25)13-22-16(2)10-21(27)11-17(22)3/h4-8,10-11,20,23,27H,1,9,12-15,25H2,2-3H3/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1				J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW
					More data for this Ligand-Target Pair