BDBM18767 1,8-naphthalein derivative, 14::4,4-bis(3-bromo-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one

SMILES Oc1ccc(cc1Br)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Br)c1

InChI Key InChIKey=HAECZDPLSOAVNF-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 18767   

TargetThymidylate synthase(Escherichia coli (strain K12))
Unimore

LigandPNGBDBM18767(4,4-bis(3-bromo-4-hydroxyphenyl)-3-oxatricyclo[7.3...)
Affinity DataKi:  900nMAssay 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 Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Unimore

LigandPNGBDBM18767(4,4-bis(3-bromo-4-hydroxyphenyl)-3-oxatricyclo[7.3...)
Affinity DataKi:  4.70E+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 Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed
TargetThymidylate synthase(Lactobacillus casei)
Unimore

LigandPNGBDBM18767(4,4-bis(3-bromo-4-hydroxyphenyl)-3-oxatricyclo[7.3...)
Affinity DataKi:  6.80E+3nM ΔG°:  -6.93kcal/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 Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed
TargetThymidylate synthase(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18767(4,4-bis(3-bromo-4-hydroxyphenyl)-3-oxatricyclo[7.3...)
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 Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Unimore

LigandPNGBDBM18767(4,4-bis(3-bromo-4-hydroxyphenyl)-3-oxatricyclo[7.3...)
Affinity DataKi:  1.50E+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 Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed