Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50108964'   

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))	BDBM50108964 (CHEMBL3597088) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C43H65N9O11/c1-24(2)18-31(38(45)58)50-42(62)34(23-53)49-35(56)12-9-17-46-40(60)32(19-25(3)4)51-41(61)33(21-27-10-7-6-8-11-27)48-36(57)22-47-43(63)37(26(5)54)52-39(59)30(44)20-28-13-15-29(55)16-14-28/h6-8,10-11,13-16,24-26,30-34,37,53-55H,9,12,17-23,44H2,1-5H3,(H2,45,58)(H,46,60)(H,47,63)(H,48,57)(H,49,56)(H,50,62)(H,51,61)(H,52,59)/t26-,30+,31+,32+,33+,34+,37+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	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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