BDBM18775 5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine::CHEMBL21357::P37

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

InChI Key InChIKey=SNBBQZGVKQEBQT-UHFFFAOYSA-N

Data  6 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 18775   

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

LigandPNGBDBM18775(5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataKi:  0.780nM ΔG°:  -12.4kcal/mole IC50:  1.95E+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 DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18775(5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataKi:  0.840nMAssay Description:Inhibition constant against Plasmodium falciparum dihydrofolate reductaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18775(5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataKi:  2nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N](Plasmodium vivax (malaria parasite P. vivax))
National Center For Genetic Engineering and Biotechnology At Thailand

LigandPNGBDBM18775(5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataKi:  63.4nM 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 DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18775(5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataKi:  104nMAssay Description:Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18775(5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataKi:  142nMAssay Description:Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-hexosaminidase subunit alpha(Homo sapiens (Human))
Sickkids

Curated by ChEMBL
LigandPNGBDBM18775(5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataIC50: >5.60E+5nMAssay Description:Inhibition of human placental HexA using pNPGlcNAc substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18775(5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine ...)
Affinity DataIC50:  6.01E+4nMAssay Description:Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed