Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50140746'   

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))	BDBM50140746 ((3aR,7aR)-1-[1-(4-Propyl-cyclohexyl)-piperidin-4-y...) Show SMILES CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-1.19,-11.31,;-1.6,-9.82,;-.53,-8.73,;-.93,-7.25,;.15,-6.15,;-.27,-4.65,;-1.77,-4.28,;-2.85,-5.38,;-2.43,-6.87,;-2.19,-2.79,;-3.67,-2.39,;-4.08,-.93,;-3,.16,;-1.53,-.22,;-1.11,-1.71,;-3.41,1.64,;-4.86,2.12,;-6.19,1.35,;-7.53,2.12,;-7.53,3.65,;-6.19,4.42,;-4.86,3.65,;-3.41,4.13,;-2.5,2.88,;-.97,2.88,)| Show InChI InChI=1S/C21H37N3O/c1-2-5-16-8-10-17(11-9-16)23-14-12-18(13-15-23)24-20-7-4-3-6-19(20)22-21(24)25/h16-20H,2-15H2,1H3,(H,22,25)/t16?,17?,19-,20-/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	435	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
					More data for this Ligand-Target Pair