BDBM18769 1,8-naphthalein derivative, 17::4,4-bis(3-fluoro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one::CHEMBL303171::Phenolnaphthalein derivative, 1

SMILES Oc1ccc(cc1F)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(F)c1

InChI Key InChIKey=SPKXRRWGTBJOFK-UHFFFAOYSA-N

Data  11 KI

  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 11 hits for monomerid = 18769   

TargetThymidylate synthase(Escherichia coli)
UniversitÀ

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi:  1.10E+3nM ΔG°:  -7.99kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
UniversitÀ

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi:  1.10E+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 ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Unimore

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi:  1.60E+3nM ΔG°:  -7.77kcal/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 ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Unimore

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi:  1.60E+3nM ΔG°:  -7.77kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
UniversitÀ

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi:  1.60E+3nMAssay Description:In vitro inhibition of Lactobacillus casei Thymidylate synthase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi:  6.40E+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 ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi:  4.20E+4nMAssay 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 ArticlePubMed
TargetThymidylate synthase(Pneumocystis carinii)
UniversitÀ

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi: >4.02E+5nM ΔG°: >-4.55kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
UniversitÀ

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi: >4.02E+5nM ΔG°: >-4.55kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
UniversitÀ

LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi: >4.02E+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 ArticlePubMed
LigandPNGBDBM18769(1,8-naphthalein derivative, 17 | 4,4-bis(3-fluoro-...)
Affinity DataKi: >1.78E+6nM ΔG°: >-3.69kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed