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

SMILES COc1cc(c(OC)cc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1

InChI Key InChIKey=TWSMBNBBXDQFQK-UHFFFAOYSA-N

Data  1 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50329613   

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 DepthDetails ArticlePubMed
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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Candida albicans)
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
TargetDihydrofolate reductase(Homo sapiens (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 DepthDetails ArticlePubMed