BDBM50367055 4-Aminofolic acid::4-Aminopteroic acid::AMINOPTERIN::Aminopteroylglutamic acid

SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1

InChI Key InChIKey=TVZGACDUOSZQKY-LBPRGKRZSA-N

Data  8 KI  11 IC50

PDB links: 2 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 19 hits for monomerid = 50367055   

TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataKi:  0.00230nMAssay Description:Tested for inhibition of dihydrofolate reductase enzyme from mouseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataKi:  0.00355nMAssay Description:Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataKi:  0.00400nMAssay Description:In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataKi:  0.00400nMAssay Description:Compound was evaluated for the inhibition of Dihydrofolate reductase at concentration ranged from 0.15-0.50 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataKi:  0.210nMAssay Description:Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataKi:  0.210nMAssay Description:Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1A3(Rattus norvegicus)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataKi:  500nMAssay Description:TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetFolylpolyglutamate synthase, mitochondrial(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataKi:  1.76E+4nMAssay Description:Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  25nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from human cells (WI-L2/M4).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  35nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  35nMAssay Description:Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  2nMAssay Description:Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  35nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  25nMAssay Description:Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  25nMAssay Description:Ability to inhibit purified Dihydrofolate reductase from human leukemic lymphoblasts was determined spectrophotometrically at 340 nM.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  25nMAssay Description:Compound was evaluated for Dihydrofolate Reductase (DHFR) inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  12nMAssay Description:Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mus musculus (Mouse))
TBA

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  20nMAssay Description:Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50367055(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Affinity DataIC50:  12nMAssay Description:Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed