BDBM18755 1,2-naphthalein derivative, 1::3,3-bis(4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7,10,12-pentaen-5-one

SMILES Oc1ccc(cc1)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)cc1

InChI Key InChIKey=QXMVPKDATXGFFJ-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 = 18755   

TargetThymidylate synthase(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18755(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
Affinity DataKi:  400nMAssay 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

LigandPNGBDBM18755(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
Affinity DataKi:  4.40E+3nM ΔG°:  -7.18kcal/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

LigandPNGBDBM18755(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
Affinity DataKi:  1.10E+4nM ΔG°:  -6.65kcal/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
TargetDihydrofolate reductase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18755(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
Affinity DataKi:  1.10E+5nMAssay 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

LigandPNGBDBM18755(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
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