BDBM50036495 2-{4-[(2,4-Diamino-quinazolin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL162476

SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cccc2n1

InChI Key InChIKey=SEARGORSCMRXLF-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50036495   

TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50036495(2-{4-[(2,4-Diamino-quinazolin-5-ylmethyl)-amino]-b...)
Affinity DataKi:  0.540nMAssay Description:Inhibitory activity against Wild-type human DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50036495(2-{4-[(2,4-Diamino-quinazolin-5-ylmethyl)-amino]-b...)
Affinity DataKi:  2.70nMAssay Description:Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2012
Entry Details Article
PubMed