Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50140744'   

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))	BDBM50140744 ((3aR,7aR)-1-Ethyl-3-(1-naphthalen-2-ylmethyl-piper...) Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccc4ccccc4c3)CC2)C1=O Show InChI InChI=1S/C25H33N3O/c1-2-27-23-9-5-6-10-24(23)28(25(27)29)22-13-15-26(16-14-22)18-19-11-12-20-7-3-4-8-21(20)17-19/h3-4,7-8,11-12,17,22-24H,2,5-6,9-10,13-16,18H2,1H3/t23-,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells				Bioorg Med Chem Lett 14: 1347-51 (2004) Article DOI: 10.1016/j.bmcl.2003.11.083 BindingDB Entry DOI: 10.7270/Q2QJ7HW5
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