BDBM50367343 (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid::FOLIC ACID::Folacin::Folvite::Vitamin B9::Vitamin M

SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1

InChI Key InChIKey=OVBPIULPVIDEAO-LBPRGKRZSA-N

Data  2 KI  3 IC50  3 Kd

  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 = 50367343   

TargetSolute carrier organic anion transporter family member 1A3(Rattus norvegicus)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50367343((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...)
Affinity DataKi:  1.41E+4nMAssay Description:TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50367343((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...)
Affinity DataKi:  4.00E+4nMAssay Description:Inhibitory constant of thymidylate synthase was determined in human AML cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367343((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...)
Affinity DataIC50:  1.80E+5nMAssay Description:Inhibitory activity against the thymidylate synthase in the Permeabilized L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM50367343((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...)
Affinity DataKd:  4.40E+3nMpH: 7.0Assay Description:Dissociation constant at(Koff) Tyr-31 of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50367343((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...)
Affinity DataIC50:  2.90E+5nMAssay Description:Compound was evaluated for the alpha-Adrenoceptor pA2 blocking activity in vitro in rabbit thoracic aortaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367343((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibitory activity against thymidylate synthase in the intact L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Pennsylvania State University

Curated by ChEMBL
LigandPNGBDBM50367343((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...)
Affinity DataKd:  810nMpH: 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
LigandPNGBDBM50367343((2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl...)
Affinity DataKd:  4.80E+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