BDBM18071 5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl}methyl)-N,N-dimethyl-1H-indole-2-carboxamide::AR-709

SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC

InChI Key InChIKey=ASSNCSVJAZEMQG-UHFFFAOYSA-N

Data  4 KI  4 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 4 hits for monomerid = 18071   

TargetDihydrofolate reductase(Staphylococcus aureus)
Arpida

LigandPNGBDBM18071(5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...)
Affinity DataKi:  8nM ΔG°:  -11.2kcal/mole IC50:  50nMpH: 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 DepthDetails
TargetDihydrofolate reductase(Streptococcus pneumoniae (ATCC49619))
Arpida

LigandPNGBDBM18071(5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...)
Affinity DataKi:  9nM ΔG°:  -11.2kcal/mole IC50:  90nMpH: 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 DepthDetails
TargetDihydrofolate reductase(Streptococcus pneumoniae)
Arpida

LigandPNGBDBM18071(5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...)
Affinity DataKi:  27nM ΔG°:  -10.5kcal/mole IC50:  50nMpH: 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 DepthDetails
TargetDihydrofolate reductase [F98Y](Staphylococcus aureus (subsp. aureus NCTC 8325))
Arpida

LigandPNGBDBM18071(5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...)
Affinity DataKi:  90nM ΔG°:  -9.77kcal/mole IC50:  900nMpH: 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 DepthDetails