BDBM45722 4-[[2-cyano-2-[3-(3-methoxypropyl)-4-oxidanylidene-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]ethanoyl]amino]benzoic acid::4-[[2-cyano-2-[3-(3-methoxypropyl)-4-oxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetyl]amino]benzoic acid::4-[[2-cyano-2-[3-(3-methoxypropyl)-4-oxo-5-[(2-propan-2-yloxyphenyl)methylidene]-2-thiazolidinylidene]-1-oxoethyl]amino]benzoic acid::4-[[2-cyano-2-[5-(2-isopropoxybenzylidene)-4-keto-3-(3-methoxypropyl)thiazolidin-2-ylidene]acetyl]amino]benzoic acid::MLS000773381::SMR000364106::cid_4422601

SMILES COCCCn1c(=O)c(=Cc2ccccc2OC(C)C)s\c1=C(\C#N)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=VCTMLEXFWZBHAH-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 = 45722   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45722BDBM45722(SMR000364106 | MLS000773381 | 4-[[2-cyano-2-[3-(3-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45722BDBM45722(SMR000364106 | MLS000773381 | 4-[[2-cyano-2-[3-(3-...)
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