Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50313239'   

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))	BDBM50313239 ((1R,9R,10R)-17-(cyclobutylmethyl)-4-(2-hydroxy-3-p...) Show SMILES OC(COc1ccccc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16| Show InChI InChI=1S/C30H39NO3/c32-24(20-33-25-9-2-1-3-10-25)21-34-26-13-12-23-17-29-27-11-4-5-14-30(27,28(23)18-26)15-16-31(29)19-22-7-6-8-22/h1-3,9-10,12-13,18,22,24,27,29,32H,4-8,11,14-17,19-21H2/t24?,27-,29+,30+/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	6.5	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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