BDBM18778 CHEMBL22405::P16::methyl 4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butanoate

SMILES COC(=O)CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

InChI Key InChIKey=OFMFFFWVDNFWHA-UHFFFAOYSA-N

Data  10 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 18778   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  0.140nMAssay 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
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium vivax (malaria parasite P. vivax))
National Center For Genetic Engineering And Biotechnology At Thailand

LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  0.690nM ΔG°:  -12.5kcal/mole IC50:  200nMpH: 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 [1-238,S58R,S117N](Plasmodium vivax (malaria parasite P. vivax))
National Center For Genetic Engineering And Biotechnology At Thailand

LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  7.43nM 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
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  16.9nMAssay 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
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  27.4nMAssay Description:Inhibition of the C59R+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
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  29.3nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  145nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataKi:  360nMAssay Description:Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM18778(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)
Affinity DataIC50:  2.23E+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