BDBM50130326 2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl]carbonyl}-N-methylhydrazinecarbothioamide::CHEMBL323554

SMILES C\N=C(/S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O

InChI Key InChIKey=OHLBEDKVGBHTLP-UHFFFAOYSA-N

Data  7 KI

  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 7 hits for monomerid = 50130326   

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

Curated by ChEMBL
LigandPNGBDBM50130326(2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...)
Affinity DataKi:  900nMAssay 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
LigandPNGBDBM50130326(2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130326(2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...)
Affinity DataKi:  5.90E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130326(2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...)
Affinity DataKi:  7.10E+3nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130326(2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...)
Affinity DataKi:  1.13E+4nMAssay Description:Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130326(2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...)
Affinity DataKi:  1.36E+4nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutationsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130326(2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-...)
Affinity DataKi:  1.94E+4nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutationsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed