BDBM18753 4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaen-2-one::GA9

SMILES Oc1ccc(cc1Br)C1(OC(=O)c2ccc(Cl)c3cccc1c23)c1ccc(O)c(Br)c1

InChI Key InChIKey=GFGZCXHXQCQRFP-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18753   

TargetThymidylate synthase(Lactobacillus casei)
University of California San Francisco

LigandPNGBDBM18753(4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...)
Affinity DataKi:  800nM ΔG°:  -8.17kcal/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))
University of California San Francisco

LigandPNGBDBM18753(4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...)
Affinity DataKi:  4.10E+3nM ΔG°:  -7.22kcal/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
TargetThymidylate synthase(Cryptococcus neoformans)
University of California San Francisco

LigandPNGBDBM18753(4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...)
Affinity DataKi:  4.10E+3nM ΔG°:  -7.22kcal/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(Pneumocystis carinii)
University of California San Francisco

LigandPNGBDBM18753(4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...)
Affinity DataKi:  2.80E+4nM ΔG°:  -6.10kcal/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(Human)
University of California San Francisco

LigandPNGBDBM18753(4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...)
Affinity DataKi: >2.45E+5nM ΔG°: >-4.84kcal/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