Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50226259'   

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))	BDBM50226259 (6-(2-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoli...) Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCc4ccccc4)CCc3c2)nc1 Show InChI InChI=1S/C24H25N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(14-12-19(21)15-22)13-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H2,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from cloned human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6841-6 (2007) Article DOI: 10.1016/j.bmcl.2007.10.025 BindingDB Entry DOI: 10.7270/Q2125TGQ
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