BDBM50444516 CHEMBL3099580

SMILES Nc1nc2[nH]c3cccc(Sc4ccccc4)c3c2c(=O)[nH]1

InChI Key InChIKey=RURPYDOTPJEGPP-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50444516   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL

LigandBDBM50444516(CHEMBL3099580)Copy SMILESCopy InChI

Affinity DataIC50:  23nMAssay Description:Inhibition of wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analys...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL

LigandBDBM50444516(CHEMBL3099580)Copy SMILESCopy InChI

Affinity DataIC50:  481nMAssay Description:Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL

LigandBDBM50444516(CHEMBL3099580)Copy SMILESCopy InChI

Affinity DataIC50:  481nMAssay Description:Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL