Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50173995'   

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))	BDBM50173995 (CHEMBL3809491) Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r| Show InChI InChI=1S/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00423 BindingDB Entry DOI: 10.7270/Q2R78H4W
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