Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50343257'   

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))	BDBM50343257 (CHEMBL1773752 | Diethyl 4-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)c1ccc(cc1C(=O)OCC)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r| Show InChI InChI=1S/C31H38O11/c1-7-39-26(34)18-10-9-17(13-19(18)27(35)40-8-2)23-15-31(5)20(29(37)42-23)11-12-30(4)21(28(36)38-6)14-22(41-16(3)32)24(33)25(30)31/h9-10,13,20-23,25H,7-8,11-12,14-15H2,1-6H3/t20-,21-,22-,23-,25-,30-,31-/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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
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