Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50216140'   

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))	BDBM50216140 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) Show SMILES COC1OC(OC)C(=C1)[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 |c:7| Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18?,20-,23?,24-,25-/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 Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
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