Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50297505'   

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 (Homo sapiens (Human))	BDBM50297505 (CHEMBL563988 | l7-(cyclopropylmethyl)-3,l4-dihydro...) Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H31NO6S/c1-16-2-7-19(8-3-16)35(31,32)34-21-10-11-27(30)22-14-18-6-9-20(29)24-23(18)26(27,25(21)33-24)12-13-28(22)15-17-4-5-17/h2-3,6-9,17,21-22,25,29-30H,4-5,10-15H2,1H3/t21-,22-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New England Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 2811-4 (2009) Article DOI: 10.1016/j.bmcl.2009.03.095 BindingDB Entry DOI: 10.7270/Q29G5MW7
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