BDBM25821 5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphenyl}but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine::propargyl-based inhibitor, 10d (+/-)

SMILES COc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N

InChI Key InChIKey=VOTVRUAOKKCDKI-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 25821   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
University of Connecticut At Storrs

LigandPNGBDBM25821(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Affinity DataIC50:  10nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut At Storrs

LigandPNGBDBM25821(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Affinity DataIC50:  7.20E+3nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Candida albicans)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM25821(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Affinity DataIC50:  38nMAssay Description:Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University of Connecticut At Storrs

LigandPNGBDBM25821(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Affinity DataIC50:  7.20E+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 At Storrs

LigandPNGBDBM25821(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Affinity DataIC50:  7.20E+3nMAssay Description:Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as susbtrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium hominis)
University of Connecticut At Storrs

LigandPNGBDBM25821(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Affinity DataIC50:  10nMAssay 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