BDBM50519130 CHEMBL4520837::US11304929, Example 03-006

SMILES Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl

InChI Key InChIKey=CJEJFFCPVBZSIE-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50519130   

TargetD-3-phosphoglycerate dehydrogenase(Human)
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50519130(CHEMBL4520837 | US11304929, Example 03-006)
Affinity DataIC50: 3nMAssay Description:Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-3-phosphoglycerate dehydrogenase(Human)
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50519130(CHEMBL4520837 | US11304929, Example 03-006)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of PHGDH in human MDA-MB-468 cells assessed as reduction in [13C]-serine incubated for 72 hrs using [13C]glucose as substrate by LC-MS/MS ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-3-phosphoglycerate dehydrogenase(Human)
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50519130(CHEMBL4520837 | US11304929, Example 03-006)
Affinity DataIC50: 3nMAssay Description:Compounds are dispensed onto assay plates (black, low volume, flat bottom 384 well, Corning) using an Access Labcyte Workstation with the Labcyte Ech...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetD-3-phosphoglycerate dehydrogenase(Human)
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50519130(CHEMBL4520837 | US11304929, Example 03-006)
Affinity DataIC50: 4nMAssay Description:Compounds are dispensed onto assay plates (black, low volume, flat bottom 384 well, Corning) using an Access Labcyte Workstation with the Labcyte Ech...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)