BDBM50329613 5-(3-(2,5-dimethoxybiphenyl-4-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine::CHEMBL1270734

SMILES Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC

InChI Key InChIKey=TWSMBNBBXDQFQK-UHFFFAOYSA-N

Data  1 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50329613   

TargetDihydrofolate reductase(Yeast)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329613(5-(3-(2,5-dimethoxybiphenyl-4-yl)but-1-ynyl)-6-met...)
Affinity DataIC50: 36nMAssay Description:Inhibition of Candida albicans DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329613(5-(3-(2,5-dimethoxybiphenyl-4-yl)but-1-ynyl)-6-met...)
Affinity DataIC50: 314nMAssay Description:Inhibition of human DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329613(5-(3-(2,5-dimethoxybiphenyl-4-yl)but-1-ynyl)-6-met...)
Affinity DataIC50: 1.53E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetDihydrofolate reductase(Bacillus anthracis)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329613(5-(3-(2,5-dimethoxybiphenyl-4-yl)but-1-ynyl)-6-met...)
Affinity DataKi:  5.16E+3nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed