BDBM18777 5-(4-chlorophenyl)-6-nonylpyrimidine-2,4-diamine

SMILES CCCCCCCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

InChI Key InChIKey=ATSIGWFFNCHDIA-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 = 18777   

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

LigandPNGBDBM18777(5-(4-chlorophenyl)-6-nonylpyrimidine-2,4-diamine)
Affinity DataKi:  4.29nM ΔG°:  -11.4kcal/mole IC50: 2.20E+3nMpH: 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

LigandPNGBDBM18777(5-(4-chlorophenyl)-6-nonylpyrimidine-2,4-diamine)
Affinity DataKi:  24.5nM IC50: 5.00E+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