Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50108959'   

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))	BDBM50108959 (CHEMBL3597071) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C82H133N19O25/c1-42(2)33-54(68(87)112)95-77(121)58(41-125-80-67(111)66(110)65(109)60(40-102)126-80)98-73(117)52(22-16-18-31-84)94-75(119)55(34-43(3)4)96-70(114)46(8)91-72(116)51(21-15-17-30-83)93-74(118)53(27-28-64(107)108)99-81(124)82(9,10)100-78(122)56(35-44(5)6)97-76(120)57(38-61(86)104)92-62(105)29-32-88-79(123)59(37-47-19-13-12-14-20-47)101(11)63(106)39-89-69(113)45(7)90-71(115)50(85)36-48-23-25-49(103)26-24-48/h12-14,19-20,23-26,42-46,50-60,65-67,80,102-103,109-111H,15-18,21-22,27-41,83-85H2,1-11H3,(H2,86,104)(H2,87,112)(H,88,123)(H,89,113)(H,90,115)(H,91,116)(H,92,105)(H,93,118)(H,94,119)(H,95,121)(H,96,114)(H,97,120)(H,98,117)(H,99,124)(H,100,122)(H,107,108)/t45-,46+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,65-,66+,67-,80-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 5728-41 (2015) Article DOI: 10.1021/acs.jmedchem.5b00014 BindingDB Entry DOI: 10.7270/Q2KH0Q33
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