Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50174106'   

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))	BDBM50174106 (CHEMBL3809396) Show SMILES COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r| Show InChI InChI=1S/C27H31NO3/c1-28(2)18-23-13-11-21-15-20(19-7-5-9-24(16-19)30-3)12-14-26(21)27(23,29)22-8-6-10-25(17-22)31-4/h5-10,12,14-17,23,29H,11,13,18H2,1-4H3/t23-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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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