BDBM50351180 CHEMBL1818120::US8835445, 7

SMILES CC(=O)c1cccc(c1)-c1cc2nc(N)nc(N)c2cc1C

InChI Key InChIKey=OCMSAMCSELNFPL-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50351180   

TargetDihydrofolate reductase(Staphylococcus aureus)
Trius Therapeutics

US Patent

LigandBDBM50351180(CHEMBL1818120 | US8835445, 7)Copy SMILESCopy InChI

Affinity DataKi:  0.480nMAssay Description:Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
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TargetDihydrofolate reductase(Staphylococcus aureus)
Trius Therapeutics

US Patent

LigandBDBM50351180(CHEMBL1818120 | US8835445, 7)Copy SMILESCopy InChI

Affinity DataKi:  0.480nMAssay Description:Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetDihydrofolate reductase(Human)
Trius Therapeutics, San Diego, Ca 92121, United States.

Curated by ChEMBL

LigandBDBM50351180(CHEMBL1818120 | US8835445, 7)Copy SMILESCopy InChI

Affinity DataKi:  26.3nMAssay Description:Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetDihydrofolate reductase(Human)
Trius Therapeutics, San Diego, Ca 92121, United States.

Curated by ChEMBL

LigandBDBM50351180(CHEMBL1818120 | US8835445, 7)Copy SMILESCopy InChI

Affinity DataKi:  26.3nMAssay Description:Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails US Patent

Copy BDB DOI
Copy reaction URL