Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50140747'   

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))	BDBM50140747 ((3aR,7aR)-1-[1-(3,3-Diphenyl-propyl)-piperidin-4-y...) Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)C1=O Show InChI InChI=1S/C29H39N3O/c1-2-31-27-15-9-10-16-28(27)32(29(31)33)25-17-20-30(21-18-25)22-19-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,25-28H,2,9-10,15-22H2,1H3/t27-,28-/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	267	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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