Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50520475'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520475 (CHEMBL4557264) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCOCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O4.C2HF3O2/c1-4-32-24-6-5-19(16-28-7-9-31-10-8-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h5-6,11-13,23,29H,4,7-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	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 MOR 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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520475 (CHEMBL4557264) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCOCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H35N3O4.C2HF3O2/c1-4-32-24-6-5-19(16-28-7-9-31-10-8-28)13-20(24)15-27-25(30)23(26)14-22-17(2)11-21(29)12-18(22)3;3-2(4,5)1(6)7/h5-6,11-13,23,29H,4,7-10,14-16,26H2,1-3H3,(H,27,30);(H,6,7)/t23-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818 BindingDB Entry DOI: 10.7270/Q2XG9VH9
					More data for this Ligand-Target Pair