BDBM50616372 CHEMBL5436320

SMILES CC(=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(F)c2)c1

InChI Key InChIKey=VUAMLKVINZWIJR-UHFFFAOYSA-N

Data  2 KI  3 IC50  2 Kd

  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 7 hits for monomerid = 50616372   

TargetD-3-phosphoglycerate dehydrogenase(Human)
Innovation Research Institute of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50616372(CHEMBL5436320)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of PHGDH (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Innovation Research Institute of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50616372(CHEMBL5436320)
Affinity DataKd:  2.33E+3nMAssay Description:Binding affinity to PHGDH (unknown origin) assessed as dissociation constant incubated for 60 mins by microscale thermophoresis analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Innovation Research Institute of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50616372(CHEMBL5436320)
Affinity DataKd:  2.48E+3nMAssay Description:Binding affinity to his-tagged PHGDH (127 to 722 residues) (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Innovation Research Institute of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50616372(CHEMBL5436320)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of wild type PHGDH (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Innovation Research Institute of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50616372(CHEMBL5436320)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of PHGDH D175A mutant (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Innovation Research Institute of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50616372(CHEMBL5436320)
Affinity DataKi:  1.49E+4nMAssay Description:Competitive inhibition of PHGDH (unknown origin) assessed as inhibition constant using 3-PG as substrate preincubated for 30 mins followed by substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Innovation Research Institute of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50616372(CHEMBL5436320)
Affinity DataKi:  1.52E+4nMAssay Description:Competitive inhibition of PHGDH (unknown origin) assessed as inhibition constant using NAD+ as substrate preincubated for 30 mins followed by substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed