Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50340699'   

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))	BDBM50340699 (CHEMBL1762403 | N-(4-amino-2-methylquinolin-6-yl)-...) Show SMILES CCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 Show InChI InChI=1S/C34H42N4O2/c1-3-4-5-6-7-8-11-20-36-23-26-14-17-29(18-15-26)40-24-27-12-9-10-13-30(27)34(39)38-28-16-19-33-31(22-28)32(35)21-25(2)37-33/h9-10,12-19,21-22,36H,3-8,11,20,23-24H2,1-2H3,(H2,35,37)(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanit£ Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting				Eur J Med Chem 46: 1207-21 (2011) Article DOI: 10.1016/j.ejmech.2011.01.040 BindingDB Entry DOI: 10.7270/Q2NK3FBC
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