Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50520469'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520469 (CHEMBL4443759) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H33N3O4.C2HF3O2/c1-4-36-27-10-9-20(29(35)32-16-21-7-5-6-8-22(21)17-32)13-23(27)15-31-28(34)26(30)14-25-18(2)11-24(33)12-19(25)3;3-2(4,5)1(6)7/h5-13,26,33H,4,14-17,30H2,1-3H3,(H,31,34);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	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 DOR 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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