Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50336680'   

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))	BDBM50336680 (CHEMBL1672487 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...) Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5O)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26| Show InChI InChI=1S/C28H34N2O4/c1-18(2)15-30-12-11-27-16-26(17-29-25(33)21-5-3-4-6-23(21)32)9-10-28(27,34-26)24(30)13-19-7-8-20(31)14-22(19)27/h3-8,14,18,24,31-32H,9-13,15-17H2,1-2H3,(H,29,33)/t24-,26+,27-,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.141	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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