Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50166213'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50166213 (17-allyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCC=C)ccc5O |TLB:7:8:12:1.3.2,21:9:12:1.3.2| Show InChI InChI=1S/C20H23NO4/c1-3-10-24-20-7-6-14(23)18-19(20)8-9-21(2)15(20)11-12-4-5-13(22)17(25-18)16(12)19/h3-5,15,18,22H,1,6-11H2,2H3/t15?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to opioid receptor kappa from guinea pig brain membranes				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
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