Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50213383'   

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))	BDBM50213383 (4-((2-(1-benzoyl-4-phenylpiperidin-4-yl)-1H-imidaz...) Show SMILES CCN(CC)C(=O)c1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C33H36N4O2/c1-3-35(4-2)30(38)28-17-15-26(16-18-28)25-37-24-21-34-32(37)33(29-13-9-6-10-14-29)19-22-36(23-20-33)31(39)27-11-7-5-8-12-27/h5-18,21,24H,3-4,19-20,22-23,25H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from cloned human mu opioid receptor				Bioorg Med Chem Lett 17: 3860-3 (2007) Article DOI: 10.1016/j.bmcl.2007.05.012 BindingDB Entry DOI: 10.7270/Q2TT4QMM
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