Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50402465'   

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))	BDBM50402465 (CHEMBL2204021) Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r| Show InChI InChI=1S/C28H30N2O6/c31-18-7-6-17-12-19-28(32)9-8-27(25-30-20(14-34-25)33-15-21(30)36-27)24-26(28,22(17)23(18)35-24)10-11-29(19)13-16-4-2-1-3-5-16/h1-7,19-21,24-25,31-32H,8-15H2/t19-,20-,21-,24-,25-,26+,27+,28-/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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