BDBM59607 2-[(3-keto-5-phenyl-3-pyrazolin-4-yl)-(3-thienyl)methyl]malononitrile::2-[(3-oxidanylidene-5-phenyl-1,2-dihydropyrazol-4-yl)-thiophen-3-yl-methyl]propanedinitrile::2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile::2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-thiophen-3-ylmethyl]propanedinitrile::MLS000028064::SMR000059343::cid_658033

SMILES O=c1[nH][nH]c(c1C(C(C#N)C#N)c1ccsc1)-c1ccccc1

InChI Key InChIKey=VXSSLOQWIIHATK-UHFFFAOYSA-N

Data  2 IC50  2 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 3 hits for monomerid = 59607   

TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 59607BDBM59607(SMR000059343 | MLS000028064 | 2-[(3-oxidanylidene-...)
Affinity DataEC50:  468nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 59607BDBM59607(SMR000059343 | MLS000028064 | 2-[(3-oxidanylidene-...)
Affinity DataEC50:  7.57E+3nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 59607BDBM59607(SMR000059343 | MLS000028064 | 2-[(3-oxidanylidene-...)
Affinity DataIC50: 3.67E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay