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BDBM50307150 2,4-Diamino-5-methyl-6-(2',6'-dimethylphenylthio)pyrrolo[2,3-d]pyrimidine::CHEMBL596741

SMILES: Cc1c(Sc2c(C)cccc2C)[nH]c2nc(N)nc(N)c12

InChI Key: InChIKey=SXEALZPGUDWSCI-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307150   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50307150
PNG
(2,4-Diamino-5-methyl-6-(2',6'-dimethylphenylthio)p...)
Show SMILES Cc1c(Sc2c(C)cccc2C)[nH]c2nc(N)nc(N)c12
Show InChI InChI=1S/C15H17N5S/c1-7-5-4-6-8(2)11(7)21-14-9(3)10-12(16)18-15(17)20-13(10)19-14/h4-6H,1-3H3,(H5,16,17,18,19,20)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 388n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver DHFR using dihydrofolic acid substrate and NADPH cofactor by spectrophotometric assay


Bioorg Med Chem 18: 1684-701 (2010)


Article DOI: 10.1016/j.bmc.2009.12.066
BindingDB Entry DOI: 10.7270/Q2668D9K
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50307150
PNG
(2,4-Diamino-5-methyl-6-(2',6'-dimethylphenylthio)p...)
Show SMILES Cc1c(Sc2c(C)cccc2C)[nH]c2nc(N)nc(N)c12
Show InChI InChI=1S/C15H17N5S/c1-7-5-4-6-8(2)11(7)21-14-9(3)10-12(16)18-15(17)20-13(10)19-14/h4-6H,1-3H3,(H5,16,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.11n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii DHFR using dihydrofolic acid substrate and NADPH cofactor by spectrophotometric assay


Bioorg Med Chem 18: 1684-701 (2010)


Article DOI: 10.1016/j.bmc.2009.12.066
BindingDB Entry DOI: 10.7270/Q2668D9K
More data for this
Ligand-Target Pair