Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM86925'   

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))	BDBM86925 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES CN(C)c1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:16:15:18.19.35:28.29.30,14:15:18.19.35:28.29.30| Show InChI InChI=1S/C29H35N3O4/c1-31(2)20-5-3-4-19(14-20)27(34)30-21-10-11-29(35)23-15-18-8-9-22(33)25-24(18)28(29,26(21)36-25)12-13-32(23)16-17-6-7-17/h3-5,8-9,14,17,21,23,26,33,35H,6-7,10-13,15-16H2,1-2H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by PDSP Ki Database									J Med Chem 51: 1913-24 (2008) Article DOI: 10.1021/jm701060e BindingDB Entry DOI: 10.7270/Q2KS6Q4K
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