Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50521445'   

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 (Rattus norvegicus (rat))	BDBM50521445 (CHEMBL4450863) Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C27H32N2O3.C2HF3O2/c1-17-12-22(30)13-18(2)23(17)16-25(28)27(31)29-19(3)24-15-21(10-11-26(24)32-4)14-20-8-6-5-7-9-20;3-2(4,5)1(6)7/h5-13,15,19,25,30H,14,16,28H2,1-4H3,(H,29,31);(H,6,7)/t19-,25+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	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 rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...				J Med Chem 62: 4142-4157 (2019) Article DOI: 10.1021/acs.jmedchem.9b00219 BindingDB Entry DOI: 10.7270/Q23R0X7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50521445 (CHEMBL4450863) Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C27H32N2O3.C2HF3O2/c1-17-12-22(30)13-18(2)23(17)16-25(28)27(31)29-19(3)24-15-21(10-11-26(24)32-4)14-20-8-6-5-7-9-20;3-2(4,5)1(6)7/h5-13,15,19,25,30H,14,16,28H2,1-4H3,(H,29,31);(H,6,7)/t19-,25+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	296	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at rat Mu-type opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 ...				J Med Chem 62: 4142-4157 (2019) Article DOI: 10.1021/acs.jmedchem.9b00219 BindingDB Entry DOI: 10.7270/Q23R0X7F
					More data for this Ligand-Target Pair