Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50402471'   

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))	BDBM50402471 (CHEMBL2204030) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r| Show InChI InChI=1S/C22H26N2O6/c1-23-7-6-20-16-11-2-3-12(25)17(16)29-18(20)21(4-5-22(20,26)13(23)8-11)19-24-14(9-28-19)27-10-15(24)30-21/h2-3,13-15,18-19,25-26H,4-10H2,1H3/t13-,14+,15+,18-,19+,20+,21+,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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]U-69,593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 22: 7551-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.023 BindingDB Entry DOI: 10.7270/Q29P32T1
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