BDBM50512575 CHEMBL4554985

SMILES c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O

InChI Key InChIKey=HSLVBDMYOQHSSR-UHFFFAOYSA-N

Data  1 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50512575   

TargetD-3-phosphoglycerate dehydrogenase(Human)
Meyer Cancer Center

Curated by ChEMBL
LigandPNGBDBM50512575(CHEMBL4554985)
Affinity DataIC50: 238nMAssay Description:Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-3-phosphoglycerate dehydrogenase(Human)
Meyer Cancer Center

Curated by ChEMBL
LigandPNGBDBM50512575(CHEMBL4554985)
Affinity DataIC50: 238nMAssay Description:Inhibition of PHGDH (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Meyer Cancer Center

Curated by ChEMBL
LigandPNGBDBM50512575(CHEMBL4554985)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human IDH1 expressed in Escherichia coli using isocitrate as substrate incubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetMalate dehydrogenase, cytoplasmic(Human)
Meyer Cancer Center

Curated by ChEMBL
LigandPNGBDBM50512575(CHEMBL4554985)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Meyer Cancer Center

Curated by ChEMBL
LigandPNGBDBM50512575(CHEMBL4554985)
Affinity DataIC50: 260nMAssay Description:Inhibition of PHGDH (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetL-lactate dehydrogenase A chain(Human)
Meyer Cancer Center

Curated by ChEMBL
LigandPNGBDBM50512575(CHEMBL4554985)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human LDHA expressed in Escherichia coli using lactate as substrate incubated for 30 mins followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetD-3-phosphoglycerate dehydrogenase(Human)
Meyer Cancer Center

Curated by ChEMBL
LigandPNGBDBM50512575(CHEMBL4554985)
Affinity DataIC50: 5.70E+4nMAssay Description:Inhibition of human PHGDH by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetD-3-phosphoglycerate dehydrogenase(Human)
Meyer Cancer Center

Curated by ChEMBL
LigandPNGBDBM50512575(CHEMBL4554985)
Affinity DataKi:  214nMAssay Description:Mixed type inhibition of PHGDH (unknown origin) using 3-PG as substrate incubated for 20 mins in presence of , PSAT1, PSPH and varying NAD+ by diapho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)