Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM85538'   

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 (Mus musculus (Mouse))	BDBM85538 (BU 61 | BU-61) Show SMILES COC12C=C[C@]3(C4C1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:31.14.15:24.26.25| Show InChI InChI=1S/C27H33NO4/c1-24(30)8-7-17-22(24)25-9-10-27(17,31-2)23-26(25)11-12-28(14-15-3-4-15)19(25)13-16-5-6-18(29)21(32-23)20(16)26/h5-6,9-10,15,17,19,22-23,29-30H,3-4,7-8,11-14H2,1-2H3/t17?,19-,22?,23-,24+,25-,26+,27?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Loughborough University Curated by PDSP Ki Database									J Pharmacol Exp Ther 291: 1093-9 (1999) BindingDB Entry DOI: 10.7270/Q2707ZZK
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