BDBM18044 (2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid::(S)-2-{4-[(2-Amino-4-hydroxy-7,8-dihydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::dihydrofolic acid

SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1

InChI Key InChIKey=OZRNSSUDZOLUSN-LBPRGKRZSA-N

Data  10 Kd

PDB links: 7 PDB IDs match 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 10 hits for monomerid = 18044   

TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  220nMAssay Description:Dissociation rate constant of compound for wild type Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  243nMAssay Description:Dissociation rate constant of compound for wild type Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  2.40E+3nMAssay Description:Dissociation rate constant of compound for mutant T46S Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  6.60E+3nMpH: 7.0 T: 2°CAssay Description:Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  2.90E+3nMpH: 8.5Assay Description:Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  6.20E+3nMpH: 8.5Assay Description:Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  2.60E+3nMpH: 7.0Assay Description:Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 8.5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  210nMpH: 7.0Assay Description:Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  240nMpH: 8.5Assay Description:Dissociation constant at Val-31(Kon)of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM18044((2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropter...)
Affinity DataKd:  2.00E+3nMAssay Description:Thermodynamic dissociation constant of compound for mutant T46N E. coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed