Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50420799'   

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))	BDBM50420799 (CHEMBL2088037) Show SMILES CN(C)C(=O)C(CN1CCC2(CC1)OCc1ccc(F)cc21)Cc1cscn1 Show InChI InChI=1S/C21H26FN3O2S/c1-24(2)20(26)16(9-18-13-28-14-23-18)11-25-7-5-21(6-8-25)19-10-17(22)4-3-15(19)12-27-21/h3-4,10,13-14,16H,5-9,11-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned mu type opioid receptor expressed in CHO cell membranes by scintillation counter				J Med Chem 55: 4955-67 (2012) Article DOI: 10.1021/jm201629q BindingDB Entry DOI: 10.7270/Q2TQ62SQ
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