Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50299390'   

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))	BDBM50299390 (CHEMBL574640 | Methyl 3-((1-benzylpiperidin-4-yl)(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(=O)OC)c1 Show InChI InChI=1S/C31H38N4O3/c1-4-34(5-2)30(36)25-14-16-27(17-15-25)35(29-13-9-12-26(22-29)32-31(37)38-3)28-18-20-33(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3,(H,32,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
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