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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate Synthase (TS)' and Monomerid = 36669   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36669
PNG
(Dansyl derivatives 7A, (S) isomer | Dansyl derivat...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(C)=O)C(O)=O)cc1
Show InChI InChI=1S/C23H24N2O6S/c1-15(26)24-20(23(27)28)14-16-10-12-17(13-11-16)31-32(29,30)22-9-5-6-18-19(22)7-4-8-21(18)25(2)3/h4-13,20H,14H2,1-3H3,(H,24,26)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+5n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36669
PNG
(Dansyl derivatives 7A, (S) isomer | Dansyl derivat...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(C)=O)C(O)=O)cc1
Show InChI InChI=1S/C23H24N2O6S/c1-15(26)24-20(23(27)28)14-16-10-12-17(13-11-16)31-32(29,30)22-9-5-6-18-19(22)7-4-8-21(18)25(2)3/h4-13,20H,14H2,1-3H3,(H,24,26)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+5n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair