BDBM18758 1,2-naphthalein derivative, 4::3,3-bis(3-bromo-4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7,10,12-pentaen-5-one::Phenolnaphthalein derivative, 4

SMILES Oc1ccc(cc1Br)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)c(Br)c1

InChI Key InChIKey=XNHOEVIBLJHYQS-UHFFFAOYSA-N

Data  10 KI

  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 10 hits for monomerid = 18758   

TargetThymidylate synthase(Escherichia coli)
Unimore

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi:  900nM ΔG°:  -8.10kcal/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(Escherichia coli)
Unimore

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi:  900nM ΔG°:  -8.10kcal/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

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi:  2.70E+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

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi:  6.60E+3nM ΔG°:  -6.94kcal/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

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi:  6.60E+3nM ΔG°:  -6.94kcal/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
TargetDihydrofolate reductase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi:  3.30E+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
LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi:  6.30E+4nM ΔG°:  -5.63kcal/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

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
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 ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi: >1.32E+5nM ΔG°: >-5.20kcal/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(Pneumocystis carinii)
UniversitÀ

LigandPNGBDBM18758(1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-...)
Affinity DataKi: >1.32E+5nM ΔG°: >-5.20kcal/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