Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50067814'   

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 (Rattus norvegicus (rat))	BDBM50067814 (17-ethyl-(1R,17S)-3,13-diazapentacyclo[13.3.1.02,1...) Show SMILES CC[C@@H]1CC2C[C@H]3C1N(C2)CCc1c3[nH]c2ccc(O)cc12 |TLB:3:4:7:13.12.11.10,THB:13:6:8.9:2.3,1:2:8.9:6.5,10:8:6.5:2.3| Show InChI InChI=1S/C19H24N2O/c1-2-12-7-11-8-16-18-14(5-6-21(10-11)19(12)16)15-9-13(22)3-4-17(15)20-18/h3-4,9,11-12,16,19-20,22H,2,5-8,10H2,1H3/t11?,12-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand				J Med Chem 41: 4486-91 (1998) Article DOI: 10.1021/jm980156y BindingDB Entry DOI: 10.7270/Q2708230
					More data for this Ligand-Target Pair