Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM86719'   

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))	BDBM86719 (MCL-145) Show SMILES O=C(Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1 |THB:45:44:36:50.34.33,18:17:9:23.7.6| Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37?,38?,41-,42-,45-,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Curated by PDSP Ki Database									J Pharmacol Exp Ther 315: 821-7 (2005) Article DOI: 10.1124/jpet.105.084343 BindingDB Entry DOI: 10.7270/Q22Z144Q
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