BDBM50130950 5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamine::5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine::5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine, 2d::CHEMBL310759

SMILES Nc1nc(N)c2c(Sc3ccc(Cl)cc3)cccc2n1

InChI Key InChIKey=AVRPDIOCAAWICH-UHFFFAOYSA-N

Data  3 KI  4 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 8 hits for monomerid = 50130950   

TargetDihydrofolate reductase(Escherichia coli)
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50130950(CHEMBL310759 | 5-[(4-chlorophenyl)sulfanyl]quinazo...)
Affinity DataIC50: 320nMAssay Description:Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50130950(CHEMBL310759 | 5-[(4-chlorophenyl)sulfanyl]quinazo...)
Affinity DataKd:  120nMAssay Description:Binding affinity to DHFR (unknown origin) by NMR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50130950(CHEMBL310759 | 5-[(4-chlorophenyl)sulfanyl]quinazo...)
Affinity DataIC50: 320nMAssay Description:Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50130950(CHEMBL310759 | 5-[(4-chlorophenyl)sulfanyl]quinazo...)
Affinity DataIC50: 510nMAssay Description:Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50130950(CHEMBL310759 | 5-[(4-chlorophenyl)sulfanyl]quinazo...)
Affinity DataIC50: 510nMAssay Description:Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli (strain K12))
Mcmaster University

LigandPNGBDBM50130950(CHEMBL310759 | 5-[(4-chlorophenyl)sulfanyl]quinazo...)
Affinity DataKi:  38nMAssay Description:Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Escherichia coli)
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50130950(CHEMBL310759 | 5-[(4-chlorophenyl)sulfanyl]quinazo...)
Affinity DataKi:  61nMAssay Description:Inhibition constant against Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50130950(CHEMBL310759 | 5-[(4-chlorophenyl)sulfanyl]quinazo...)
Affinity DataKi:  61nMAssay Description:Inhibition constant against Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed