BDBM18764 1,8-naphthalein derivative, 11::8-chloro-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one::CHEMBL294280

SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(Cl)c1

InChI Key InChIKey=MHEAOWBYSPTNSU-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 = 18764   

TargetThymidylate synthase(Lactobacillus casei)
Unimore

LigandPNGBDBM18764(1,8-naphthalein derivative, 11 | 8-chloro-4,4-bis(...)
Affinity DataKi:  700nM ΔG°:  -8.25kcal/molepH: 7.4 T: 20°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(Escherichia coli (strain K12))
Università

Curated by ChEMBL
LigandPNGBDBM18764(1,8-naphthalein derivative, 11 | 8-chloro-4,4-bis(...)
Affinity DataKi:  730nMAssay Description:In vitro inhibition of Lactobacillus casei Thymidylate synthase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Cryptococcus neoformans)
Unimore

LigandPNGBDBM18764(1,8-naphthalein derivative, 11 | 8-chloro-4,4-bis(...)
Affinity DataKi:  9.60E+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(Escherichia coli (strain K12))
Università

Curated by ChEMBL
LigandPNGBDBM18764(1,8-naphthalein derivative, 11 | 8-chloro-4,4-bis(...)
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 DepthDetails ArticlePubMed
TargetThymidylate synthase(Human)
Unimore

LigandPNGBDBM18764(1,8-naphthalein derivative, 11 | 8-chloro-4,4-bis(...)
Affinity DataKi: >1.20E+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