Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50520470'   

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))	BDBM50520470 (CHEMBL4440537) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCc3ccccc3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H37N3O3.C2HF3O2/c1-4-36-29-10-9-22(18-33-12-11-23-7-5-6-8-24(23)19-33)15-25(29)17-32-30(35)28(31)16-27-20(2)13-26(34)14-21(27)3;3-2(4,5)1(6)7/h5-10,13-15,28,34H,4,11-12,16-19,31H2,1-3H3,(H,32,35);(H,6,7)/t28-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	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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