Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50520465'   

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))	BDBM50520465 (CHEMBL4443716) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2Cc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H35N3O3.C2HF3O2/c1-4-35-28-10-9-21(16-32-17-22-7-5-6-8-23(22)18-32)13-24(28)15-31-29(34)27(30)14-26-19(2)11-25(33)12-20(26)3;3-2(4,5)1(6)7/h5-13,27,33H,4,14-18,30H2,1-3H3,(H,31,34);(H,6,7)/t27-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
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