BDBM53412 4-[[5-[[(1S)-1-tert-butoxycarbonyl-5-(tert-butoxycarbonylamino)pentyl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoic acid ethyl ester::4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester::ILP-IV-41::MLS000849609::PiE::SMR000465900::cid_16746599::ethyl 4-[[5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-1H-imidazol-4-yl]carbonylamino]benzoate::ethyl 4-[[5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate

SMILES CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

InChI Key InChIKey=XIQFIGDBAIPLCI-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 53412   

TargetPeptidyl-prolyl cis-trans isomerase ESS1(Baker's yeast)
Tohoku University

LigandPNGBDBM53412(MLS000849609 | cid_16746599 | ILP-IV-41 | ethyl 4-...)
Affinity DataIC50: 2.50E+3nMpH: 7.0 T: 2°CAssay Description:Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/3/2011
Entry Details Article
PubMed
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM53412(MLS000849609 | cid_16746599 | ILP-IV-41 | ethyl 4-...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay