BDBM50130318 CHEMBL95615::N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl]carbonyl}hydrazinecarbothioamide::cid_2764922

SMILES Clc1cccc(Cn2cccc(C(=O)NNC(=S)NCC=C)c2=O)c1

InChI Key InChIKey=WPRCJRKQJRLRHC-UHFFFAOYSA-N

Data  7 KI  2 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 9 hits for monomerid = 50130318   

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

Curated by ChEMBL
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataKi:  410nMAssay 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
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataKi:  1.70E+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
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataKi:  1.00E+4nMAssay 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
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataKi:  1.06E+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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Università

Curated by ChEMBL
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataKi:  1.30E+4nMAssay 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
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataKi:  1.52E+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
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataKi:  1.70E+4nMAssay Description:Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutationsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetT cell receptor alpha variable 4(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataIC50: >9.41E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAlbumin(Bos taurus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50130318(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Affinity DataIC50: >9.41E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay