BDBM18770 1,8-naphthalein derivative, 18::8-chloro-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::Phenolnaphthalein derivative, 3

SMILES Oc1ccc(cc1F)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(F)c1

InChI Key InChIKey=UHARVYHWAUZCLS-UHFFFAOYSA-N

Data  10 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 10 hits for monomerid = 18770   

TargetThymidylate synthase(Escherichia coli)
Unimore

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
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(Escherichia coli)
Unimore

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
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(Lactobacillus casei)
Unimore

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Affinity DataKi:  1.80E+3nM ΔG°:  -7.70kcal/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

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Affinity DataKi:  1.80E+3nM ΔG°:  -7.70kcal/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(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Affinity DataKi:  6.50E+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 ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Affinity DataKi:  1.20E+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

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Affinity DataKi:  2.20E+4nM ΔG°:  -6.24kcal/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))
Unimore

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Affinity DataKi: >2.45E+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
TargetThymidylate synthase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Affinity DataKi: >2.45E+5nM ΔG°: >-4.84kcal/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
LigandPNGBDBM18770(1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...)
Affinity DataKi: >1.08E+6nM ΔG°: >-3.98kcal/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