BDBM50243415 CHEMBL4063104

SMILES O[C@@H]1CCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F

InChI Key InChIKey=DSUZLJDXUJUTGI-UHFFFAOYSA-N

Data  6 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50243415   

LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataIC50: 16nMAssay Description:Inhibition of human full length N-terminal His-tagged AICARFT expressed in Escherichia coli BL21 (DE3) using ZMP/10-formyltetrahydrofolate as substra...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataEC50:  356nMAssay Description:Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using regular folate media after 16 hrs by LC-MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataEC50:  7.60nMAssay Description:Inhibition of AICARFT in human MDA-MB-231 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of thymidylate synthase (unknown origin) using dUMP/5,10-methylene THF as substrate after 1 hr by mass spectrometric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSerine hydroxymethyltransferase, cytosolic(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of SHMT1 (unknown origin) using serine/THF as substrate after 50 mins by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-1-tetrahydrofolate synthase, cytoplasmic(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of MTHFD1 (unknown origin) using NADP/5,10-methylene THF as substrate after 30 mins by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of MTHFD2L (unknown origin) using NAD/5,10-methylene THF as substrate after 2 hrs by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of MTHFD2 (unknown origin) using NAD/5,10-methylene THF as substrate after 30 mins by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataEC50:  73nMAssay Description:Inhibition of AICARFT in human MDA-MB-231 cells assessed as increase in ZMP levels using regular folate media after 16 hrs by LC-MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50243415(CHEMBL4063104)
Affinity DataEC50:  8nMAssay Description:Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)