null

SMILES Oc1ccc(cc1F)C1(OC(=O)c2c1ccc1ccccc21)c1ccc(O)c(F)c1

InChI Key InChIKey=MZAQKJGJNGPFRE-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18761   

TargetThymidylate synthase(Lactobacillus casei)
UNIMORE

LigandPNGBDBM18761(1,2-naphthalein derivative, 8 | 5,5-bis(3-fluoro-4...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+3nM ΔG°:  -7.85kcal/molepH: 7.4 T: 2°CAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S180R0PubMed
TargetThymidylate synthase(Escherichia coli)
UNIMORE

LigandPNGBDBM18761(1,2-naphthalein derivative, 8 | 5,5-bis(3-fluoro-4...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+3nM ΔG°:  -7.85kcal/molepH: 7.4 T: 2°CAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S180R0PubMed
TargetThymidylate synthase(Cryptococcus neoformans)
UNIMORE

LigandPNGBDBM18761(1,2-naphthalein derivative, 8 | 5,5-bis(3-fluoro-4...)copy SMILEScopy InChI
Affinity DataKi:  3.50E+3nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S180R0PubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
UNIMORE

LigandPNGBDBM18761(1,2-naphthalein derivative, 8 | 5,5-bis(3-fluoro-4...)copy SMILEScopy InChI
Affinity DataKi:  1.09E+5nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S180R0PubMed
TargetThymidylate synthase(Homo sapiens (Human))
UNIMORE

LigandPNGBDBM18761(1,2-naphthalein derivative, 8 | 5,5-bis(3-fluoro-4...)copy SMILEScopy InChI
Affinity DataKi: >1.32E+5nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S180R0PubMed