BDBM50271430 CHEMBL4127077::US11225469, Compound 295

SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(cc3)C(F)(F)F)C(C2)C(O)=O)c1

InChI Key InChIKey=GFCNJILOIOHVJK-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50271430   

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

US Patent
LigandPNGBDBM50271430(CHEMBL4127077 | US11225469, Compound 295)
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
US Patent

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

US Patent
LigandPNGBDBM50271430(CHEMBL4127077 | US11225469, Compound 295)
Affinity DataIC50: 3.30E+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