Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50313230'   

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))	BDBM50313230 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(7-{[(1R,9R,1...) Show SMILES OC(CCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:15:29.12.13| Show InChI InChI=1S/C49H70N2O4/c52-38(32-54-40-18-16-36-26-46-42-14-1-3-20-48(42,44(36)28-40)22-24-50(46)30-34-8-5-9-34)12-7-13-39(53)33-55-41-19-17-37-27-47-43-15-2-4-21-49(43,45(37)29-41)23-25-51(47)31-35-10-6-11-35/h16-19,28-29,34-35,38-39,42-43,46-47,52-53H,1-15,20-27,30-33H2/t38?,39?,42-,43-,46+,47+,48+,49+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 1507-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.101 BindingDB Entry DOI: 10.7270/Q2251JBF
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