Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50336687'   

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))	BDBM50336687 (CHEMBL1672494 | N-[(17-Benzyl-6beta,14beta-epoxy-3...) Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6cccc(F)c6)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5| Show InChI InChI=1S/C31H31FN2O3/c32-24-8-4-7-23(15-24)28(36)33-20-29-11-12-31(37-29)27-16-22-9-10-25(35)17-26(22)30(31,19-29)13-14-34(27)18-21-5-2-1-3-6-21/h1-10,15,17,27,35H,11-14,16,18-20H2,(H,33,36)/t27-,29+,30-,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem 19: 1205-21 (2011) Article DOI: 10.1016/j.bmc.2010.12.035 BindingDB Entry DOI: 10.7270/Q23N23P2
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