BDBM18759 1,2-naphthalein derivative, 5::3,3-bis(3,5-dibromo-4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7,10,12-pentaen-5-one::Phenolnaphthalein derivative, 5

SMILES Oc1c(Br)cc(cc1Br)C1(OC(=O)c2ccc3ccccc3c12)c1cc(Br)c(O)c(Br)c1

InChI Key InChIKey=KXYNIHYORNUIPQ-UHFFFAOYSA-N

Data  10 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 18759   

TargetThymidylate synthase(Lactobacillus casei)
Unimore

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
Affinity DataKi:  1.70E+3nM ΔG°:  -7.73kcal/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

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
Affinity DataKi:  1.70E+3nM ΔG°:  -7.73kcal/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)
Unimore

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
Affinity DataKi:  8.50E+3nM ΔG°:  -6.80kcal/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

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
Affinity DataKi:  8.50E+3nM ΔG°:  -6.80kcal/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

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
Affinity DataKi:  1.30E+4nMAssay 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(Pneumocystis carinii)
UniversitÀ

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
Affinity DataKi:  3.27E+4nM ΔG°:  -6.01kcal/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
LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
Affinity DataKi:  4.10E+4nM ΔG°:  -5.88kcal/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

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
Affinity DataKi:  6.90E+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(Homo sapiens (Human))
Unimore

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
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

LigandPNGBDBM18759(1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibrom...)
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