BDBM18757 1,2-naphthalein derivative, 3::3,3-bis(4-hydroxy-3-iodophenyl)-4-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7,10,12-pentaen-5-one

SMILES Oc1ccc(cc1I)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)c(I)c1

InChI Key InChIKey=AQPFSNJHTLOSID-UHFFFAOYSA-N

Data  5 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18757   

TargetThymidylate synthase(Escherichia coli)
Unimore

LigandPNGBDBM18757(1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...)
Affinity DataKi:  1.50E+3nM ΔG°:  -7.81kcal/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

LigandPNGBDBM18757(1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...)
Affinity DataKi:  2.00E+3nM ΔG°:  -7.64kcal/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

LigandPNGBDBM18757(1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...)
Affinity DataKi:  3.90E+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(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18757(1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...)
Affinity DataKi:  4.50E+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 DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Unimore

LigandPNGBDBM18757(1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...)
Affinity DataKi: >2.45E+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