BDBM18763 1,8-naphthalein derivative, 10::4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one::A15::A156::Alpha 156::CHEMBL67116

SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1

InChI Key InChIKey=HCQHFJBXXMFZHF-UHFFFAOYSA-N

Data  13 KI

PDB links: 1 PDB ID matches this monomer.

  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 13 hits for monomerid = 18763   

TargetThymidylate synthase(Escherichia coli)
UniversitÀ

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  600nM ΔG°:  -8.34kcal/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

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  600nM ΔG°:  -8.34kcal/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)
UniversitÀ

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  700nMAssay Description:In vitro inhibition of Lactobacillus casei Thymidylate synthase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
UniversitÀ

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  700nM ΔG°:  -8.25kcal/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)
Universita Degli Studi Di Modena E Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  700nMAssay Description:Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assayMore data for this Ligand-Target Pair
TargetThymidylate synthase(Lactobacillus casei)
Universita Degli Studi Di Modena E Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  700nM ΔG°:  -8.25kcal/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
TargetDihydrofolate reductase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  5.20E+3nMAssay 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

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  1.30E+4nM ΔG°:  -6.55kcal/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))
Unimore

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  3.00E+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(Homo sapiens (Human))
Unimore

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  3.00E+4nM ΔG°:  -6.06kcal/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

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  3.00E+4nMAssay Description:Inhibition of human thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
Affinity DataKi:  3.50E+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
LigandPNGBDBM18763(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
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