Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM86445'   

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))	BDBM86445 ((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...) Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21| Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by PDSP Ki Database									Eur J Pharmacol 483: 301-8 (2004) Article DOI: 10.1016/j.ejphar.2003.10.049 BindingDB Entry DOI: 10.7270/Q2TQ603X
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