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 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2n1

InChI Key InChIKey=NYQPLPNEESYGNO-UHFFFAOYSA-N

Data  3 KI  4 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50011320   

TargetDihydrofolate reductase(Homo sapiens (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
TargetDihydrofolate reductase(Mus musculus (Mouse))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataKi:  0.0420nMAssay Description:Inhibitory constant of the compound for murine Wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Mus musculus (Mouse))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50011320(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Affinity DataKi:  25.9nMAssay Description:Inhibitory constant of the compound for F31A/F34A murine dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Mus musculus (Mouse))
University Of Minnesota

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
TargetDihydrofolate reductase(Mus musculus (Mouse))
University Of Minnesota

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
TargetDihydrofolate reductase(Homo sapiens (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
TargetDihydrofolate reductase(Homo sapiens (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