BDBM50011320 CHEMBL18155::N-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid::N-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid(PT523)

SMILES c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O

InChI Key InChIKey=NYQPLPNEESYGNO-UHFFFAOYSA-N

Data  3 KI  4 IC50

  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 7 hits for monomerid = 50011320   

TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataIC50: 12nMAssay Description:Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Mouse)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataIC50: 52nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataIC50: 1.10nMAssay Description:Tested in vitro for inhibitory concentration against CCRF-CEM human Leukemic lymphoblast by using DHFR as primary targetMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Mouse)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataIC50: 52nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataKi:  0nMAssay 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 Depth
Date in BDB:
11/9/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Mouse)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataKi:  0.0420nMAssay Description:Inhibitory constant for murine Wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Mouse)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataKi:  25.9nMAssay Description:Inhibitory constant for F31A/F34A murine dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed