Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50340694'   

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))	BDBM50340694 (CHEMBL1762398 | N-(4-amino-2-methylquinolin-6-yl)-...) Show SMILES CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 Show InChI InChI=1S/C29H32N4O2/c1-3-4-15-31-18-21-9-12-24(13-10-21)35-19-22-7-5-6-8-25(22)29(34)33-23-11-14-28-26(17-23)27(30)16-20(2)32-28/h5-14,16-17,31H,3-4,15,18-19H2,1-2H3,(H2,30,32)(H,33,34)	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	5.11E+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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