Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50303615'   

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))	BDBM50303615 (1,6-N,N-Diethyl-1,6-N,N-bis(17-N-cyclobutylmethyl-...) Show SMILES CCN(CCCCCCN(CC)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:51:50:39.56.40:42| Show InChI InChI=1S/C54H82N4O2/c1-3-55(37-43-29-41-31-49-45-19-7-9-21-53(45,47(41)33-51(43)59)23-27-57(49)35-39-15-13-16-39)25-11-5-6-12-26-56(4-2)38-44-30-42-32-50-46-20-8-10-22-54(46,48(42)34-52(44)60)24-28-58(50)36-40-17-14-18-40/h29-30,33-34,39-40,45-46,49-50,59-60H,3-28,31-32,35-38H2,1-2H3/t45-,46-,49+,50+,53+,54+/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	64	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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