BDBM18760 1,2-naphthalein derivative, 7::5,5-bis(3-chloro-4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7,10,12-pentaen-3-one

SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2c1ccc1ccccc21)c1ccc(O)c(Cl)c1

InChI Key InChIKey=AXESJKFUKLHVMJ-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 = 18760   

TargetThymidylate synthase(Escherichia coli (strain K12))
Unimore

LigandPNGBDBM18760(5,5-bis(3-chloro-4-hydroxyphenyl)-4-oxatricyclo[7....)
Affinity DataKi:  1.20E+3nM ΔG°:  -7.94kcal/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 Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed
TargetThymidylate synthase(Lactobacillus casei)
Unimore

LigandPNGBDBM18760(5,5-bis(3-chloro-4-hydroxyphenyl)-4-oxatricyclo[7....)
Affinity DataKi:  3.90E+3nM ΔG°:  -7.25kcal/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
In Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed
TargetThymidylate synthase(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18760(5,5-bis(3-chloro-4-hydroxyphenyl)-4-oxatricyclo[7....)
Affinity DataKi:  8.10E+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 Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Unimore

LigandPNGBDBM18760(5,5-bis(3-chloro-4-hydroxyphenyl)-4-oxatricyclo[7....)
Affinity DataKi:  3.40E+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

LigandPNGBDBM18760(5,5-bis(3-chloro-4-hydroxyphenyl)-4-oxatricyclo[7....)
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 Depth
Date in BDB:
11/3/2007
Entry Details Article
PubMed