Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50311481'   

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))	BDBM50311481 (2-(8-(4-tert-butylcyclohexyl)-1-oxo-4-phenyl-2,3,8...) Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |t:6,(25.94,-40.59,;24.4,-40.58,;23.63,-41.91,;24.4,-43.25,;22.09,-41.91,;21.32,-43.24,;21.8,-44.7,;20.55,-45.61,;20.56,-47.15,;19.24,-47.92,;19.23,-49.46,;20.57,-50.23,;21.9,-49.46,;21.9,-47.91,;19.3,-44.7,;18.52,-43.37,;16.98,-43.37,;16.21,-44.71,;16.99,-46.05,;18.54,-46.05,;14.67,-44.7,;13.9,-43.37,;12.37,-43.37,;11.6,-44.7,;12.37,-46.03,;13.91,-46.04,;10.06,-44.7,;9.29,-43.36,;9.28,-46.03,;10.46,-43.21,;19.78,-43.24,;18.87,-42,)| Show InChI InChI=1S/C26H38N4O2/c1-25(2,3)20-10-12-21(13-11-20)29-16-14-26(15-17-29)23(19-8-6-5-7-9-19)28-30(24(26)32)18-22(31)27-4/h5-9,20-21H,10-18H2,1-4H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 6441-6 (2009) Article DOI: 10.1016/j.bmcl.2009.09.028 BindingDB Entry DOI: 10.7270/Q21J99W7
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