Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50185616'   

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))	BDBM50185616 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccn(c1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H35NO10S/c1-17(32)40-23-14-22(27(34)39-5)29(2)12-10-21-28(35)41-24(15-30(21,3)26(29)25(23)33)18-11-13-31(16-18)42(36,37)20-8-6-19(38-4)7-9-20/h6-9,11,13,16,21-24,26H,10,12,14-15H2,1-5H3/t21-,22-,23-,24-,26-,29-,30-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human mu opioid receptor				Bioorg Med Chem Lett 16: 3170-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.062 BindingDB Entry DOI: 10.7270/Q2CR5SZK
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