BDBM18070 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine::AR-100::Iclaprim

SMILES COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N

InChI Key InChIKey=HWJPWWYTGBZDEG-UHFFFAOYSA-N

Data  4 KI  8 IC50

PDB links: 5 PDB IDs match 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 12 hits for monomerid = 18070   

TargetDihydrofolate reductase(Escherichia coli (strain K12))
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataIC50: 7nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataIC50: 3.00E+5nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataIC50: 7nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataIC50: 8nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataIC50: 2.40E+3nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Staphylococcus aureus)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Escherichia coli (strain K12))
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataIC50: 65nMAssay Description:Inhibition of Escherichia coli DHFR incubated for 10 mins in presence of NADPH by absorbance based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Staphylococcus aureus)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataKi:  0.0810nMAssay Description:Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataKi:  775nMAssay Description:Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Gsk

LigandPNGBDBM18070(5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...)
Affinity DataKi:  775nMAssay Description:Inhibition of human DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed