BDBM18785 5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine::CHEMBL22039::P38

SMILES Cc1nc(N)nc(N)c1-c1cccc(Cl)c1

InChI Key InChIKey=KUJZZRQOOOVVCJ-UHFFFAOYSA-N

Data  10 KI  3 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 3 hits for monomerid = 18785   

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

LigandPNGBDBM18785(5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataKi:  0.690nM ΔG°:  -12.5kcal/mole IC50: 2.12E+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

LigandPNGBDBM18785(5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataKi:  1.19nM IC50: 1.98E+3nMAssay 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(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM18785(5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataIC50: 4.80E+3nMAssay Description:Antiplasmodial activity IC50 against Plasmodium falciparum K1CB1 DHFR double-mutant (C59R/S10)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed