BDBM58473 MLS001172437::N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide::N-(4-methyl-2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide::N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide::PHGDH-hit::SMR000590434::US11225469, Compound 63::cid_4566836

SMILES Cc1ccnc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1

InChI Key InChIKey=RBRSLSDXXMOOCE-UHFFFAOYSA-N

Data  11 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 12 hits for monomerid = 58473   

TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 1.16E+4nMAssay Description:Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
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
TargetIsoform 2 of Nuclear receptor corepressor 2 (TRAC-1)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 3.99E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetPhotoreceptor-specific nuclear receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 3.99E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetD-3-phosphoglycerate dehydrogenase(Human)
Whitehead Institute For Biomedical Research

LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 1.53E+4nMpH: 8.0 T: 2°CAssay Description:PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2016
Entry Details Article
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Whitehead Institute For Biomedical Research

LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 1.53E+4nMAssay Description:Inhibition of human liver N-terminal His6-tagged PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3 -phosphoglycerate as substarte measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/24/2019
Entry Details Article
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Whitehead Institute For Biomedical Research

LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 1.41E+4nMAssay Description:Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2020
Entry Details Article
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Whitehead Institute For Biomedical Research

LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2020
Entry Details Article
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Whitehead Institute For Biomedical Research

LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 1.72E+4nMAssay Description:Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2020
Entry Details Article
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Whitehead Institute For Biomedical Research

LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 1.50E+4nMAssay Description:PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2022
Entry Details
Go to US Patent

TargetD-3-phosphoglycerate dehydrogenase(Human)
Whitehead Institute For Biomedical Research

LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 7.50E+3nMAssay Description:PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2022
Entry Details
Go to US Patent

TargetD-3-phosphoglycerate dehydrogenase(Human)
Whitehead Institute For Biomedical Research

LigandPNGBDBM58473(N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phe...)
Affinity DataIC50: 2.00E+4nMAssay Description:PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2022
Entry Details
Go to US Patent