BDBM195605 NCT-502::US11225469, Compound 72

SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)c1

InChI Key InChIKey=HHKPPMSUPATMKP-UHFFFAOYSA-N

Data  5 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 6 hits for monomerid = 195605   

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

LigandPNGBDBM195605(NCT-502 | US11225469, Compound 72)
Affinity DataIC50: 3.70E+3nMpH: 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

LigandPNGBDBM195605(NCT-502 | US11225469, Compound 72)
Affinity DataIC50: 3.70E+3nMAssay 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

LigandPNGBDBM195605(NCT-502 | US11225469, Compound 72)
Affinity DataIC50: 3.70E+3nMAssay 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

LigandPNGBDBM195605(NCT-502 | US11225469, Compound 72)
Affinity DataEC50:  1.75E+4nMAssay Description:Inhibition of PHGDH in human MDA-MB-468 cells assessed as decrease in serine fluxMore 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

LigandPNGBDBM195605(NCT-502 | US11225469, Compound 72)
Affinity DataIC50: 5.00E+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

LigandPNGBDBM195605(NCT-502 | US11225469, Compound 72)
Affinity DataIC50: 3.70E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed