BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate Synthase (TS)' and Monomerid = 36668   
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)
BDBM36668
PNG
(Dansyl derivatives 21A, (S) isomer | Dansyl deriva...)
Show SMILES NC(Cc1ccc(OS(=O)(=O)c2cccc3ccccc23)cc1)C(O)=O
Show InChI InChI=1/C19H17NO5S/c20-17(19(21)22)12-13-8-10-15(11-9-13)25-26(23,24)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,17H,12,20H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.35E+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)
BDBM36668
PNG
(Dansyl derivatives 21A, (S) isomer | Dansyl deriva...)
Show SMILES NC(Cc1ccc(OS(=O)(=O)c2cccc3ccccc23)cc1)C(O)=O
Show InChI InChI=1/C19H17NO5S/c20-17(19(21)22)12-13-8-10-15(11-9-13)25-26(23,24)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,17H,12,20H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+6n/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