Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50265493'   

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))	BDBM50265493 (CHEMBL442943 | N-{m-[R(+)-1]Ureaphenoxy}ethyl-N'-o...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:45| Show InChI InChI=1S/C46H49N7O9/c1-52-19-17-45-39-28-21-30(54)24-35(39)62-41(45)33(15-16-46(45,59)36(52)22-28)49-38(56)26-60-25-37(55)47-18-20-61-31-12-8-11-29(23-31)48-44(58)51-42-43(57)53(2)34-14-7-6-13-32(34)40(50-42)27-9-4-3-5-10-27/h3-14,21,23-24,33,36,41-42,54,59H,15-20,22,25-26H2,1-2H3,(H,47,55)(H,49,56)(H2,48,51,58)/t33-,36+,41-,42-,45-,46+/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	24.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
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