new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thymidylate Synthase (TS)' and Ligand = 'BDBM18755'   
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)


(Cryptococcus neoformans)
BDBM18755
PNG
(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)cc1
Show InChI InChI=1S/C24H16O4/c25-18-10-6-16(7-11-18)24(17-8-12-19(26)13-9-17)22-20-4-2-1-3-15(20)5-14-21(22)23(27)28-24/h1-14,25-26H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
400n/an/an/an/an/an/an/an/a



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18755
PNG
(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)cc1
Show InChI InChI=1S/C24H16O4/c25-18-10-6-16(7-11-18)24(17-8-12-19(26)13-9-17)22-20-4-2-1-3-15(20)5-14-21(22)23(27)28-24/h1-14,25-26H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.40E+3 -30.1n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM18755
PNG
(1,2-naphthalein derivative, 1 | 3,3-bis(4-hydroxyp...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)cc1
Show InChI InChI=1S/C24H16O4/c25-18-10-6-16(7-11-18)24(17-8-12-19(26)13-9-17)22-20-4-2-1-3-15(20)5-14-21(22)23(27)28-24/h1-14,25-26H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.10E+4 -27.8n/an/an/an/an/a7.420



UNIMORE



Assay Description
TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...


J Med Chem 49: 5958-68 (2006)


Article DOI: 10.1021/jm051187d
BindingDB Entry DOI: 10.7270/Q2S180R0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)