Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50313231'   

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))	BDBM50313231 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(8-{[(1R,9R,1...) Show SMILES OC(CCCCC(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:25:24:16:30.13.14| Show InChI InChI=1S/C50H72N2O4/c53-39(33-55-41-19-17-37-27-47-43-15-3-5-21-49(43,45(37)29-41)23-25-51(47)31-35-9-7-10-35)13-1-2-14-40(54)34-56-42-20-18-38-28-48-44-16-4-6-22-50(44,46(38)30-42)24-26-52(48)32-36-11-8-12-36/h17-20,29-30,35-36,39-40,43-44,47-48,53-54H,1-16,21-28,31-34H2/t39?,40?,43-,44-,47+,48+,49+,50+/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	3.20	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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