BDBM18776 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine

SMILES CC(C)Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1

InChI Key InChIKey=OJICAGOARSTCMM-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18776   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18776(5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,...)
Affinity DataKi:  1.40nM ΔG°:  -12.1kcal/mole IC50: 220nMpH: 7.0 T: 2°CAssay Description:Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N](malaria parasite P. vivax)
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18776(5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,...)
Affinity DataKi:  28.1nM IC50: 1.82E+4nMAssay Description:Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed