BDBM50329607 5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine::CHEMBL1270837

SMILES COc1cc(ccc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1

InChI Key InChIKey=DATCFVVEPPDLRQ-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50329607   

TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329607(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)
Affinity DataKi:  1.17E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

US Patent
LigandPNGBDBM50329607(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)
Affinity DataIC50:  1.42E+3nMAssay Description:Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut

US Patent
LigandPNGBDBM50329607(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)
Affinity DataIC50:  340nMAssay 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
TargetDihydrofolate reductase(Bacillus anthracis)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329607(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)
Affinity DataIC50:  3.47E+4nMAssay Description:Inhibition of wild type Bacillus anthracis recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
University of Connecticut

US Patent
LigandPNGBDBM50329607(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)
Affinity DataIC50:  19nMAssay Description:Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydrofolate reductase(Candida albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50329607(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)
Affinity DataIC50:  20nMAssay 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