BDBM18762 1,8-naphthalein derivative, 9::4,4-bis(4-hydroxy-3-iodophenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one

SMILES Oc1ccc(cc1I)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(I)c1

InChI Key InChIKey=MWSBUJZTUYGHOM-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 18762   

TargetThymidylate synthase(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18762(1,8-naphthalein derivative, 9 | 4,4-bis(4-hydroxy-...)
Affinity DataKi:  1.60E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Unimore

LigandPNGBDBM18762(1,8-naphthalein derivative, 9 | 4,4-bis(4-hydroxy-...)
Affinity DataKi:  3.10E+4nM ΔG°:  -6.04kcal/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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18762(1,8-naphthalein derivative, 9 | 4,4-bis(4-hydroxy-...)
Affinity DataKi:  9.40E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18762(1,8-naphthalein derivative, 9 | 4,4-bis(4-hydroxy-...)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed