Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50303611'   

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))	BDBM50303611 (1,4-N,N-Bis(17-N-cyclobutylmethyl-3-hydroxymorphin...) Show SMILES Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r| Show InChI InChI=1S/C48H70N4O2/c53-45-27-41-35(25-43-39-13-1-3-15-47(39,41)17-21-51(43)31-33-9-7-10-33)23-37(45)29-49-19-5-6-20-50-30-38-24-36-26-44-40-14-2-4-16-48(40,42(36)28-46(38)54)18-22-52(44)32-34-11-8-12-34/h23-24,27-28,33-34,39-40,43-44,49-50,53-54H,1-22,25-26,29-32H2/t39-,40-,43+,44+,47+,48+/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	6.80	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 cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
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