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Found 7 hits Enz. Inhib. hit(s) with Target = 'Probable thymidylate synthase' AND taxid = 10506   
Target
(Institution)
LigandTarget
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
Probable thymidylate synthase


(Paramecium bursaria Chlorella virus 1)
BDBM50377324
PNG
(CHEMBL257162)
Show SMILES CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1)c1ccccc1
Show InChI InChI=1S/C20H22F3N5O4S/c1-2-32-18(30)15-12-33-17(13-7-4-3-5-8-13)28(15)16(29)14-11-27(26-25-14)10-6-9-24-19(31)20(21,22)23/h3-5,7-8,11,15,17H,2,6,9-10,12H2,1H3,(H,24,31)/t15-,17?/m0/s1
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57n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Paris

Curated by ChEMBL


Assay Description
Inhibition of PBCV1 Thymidylate synthase X


Citation and Details
More data for this
Ligand-Target Pair
Probable thymidylate synthase


(Paramecium bursaria Chlorella virus 1)
BDBM50377323
PNG
(CHEMBL255717)
Show SMILES CCCCCCC(=O)N(C[C@@H]1CSC(N1C(=O)c1ccccc1)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-3-4-11-16-23(29)27(18-24(30)31)17-22-19-33-26(21-14-9-6-10-15-21)28(22)25(32)20-12-7-5-8-13-20/h5-10,12-15,22,26H,2-4,11,16-19H2,1H3,(H,30,31)/t22-,26?/m1/s1
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130n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Paris

Curated by ChEMBL


Assay Description
Inhibition of PBCV1 Thymidylate synthase X


Citation and Details
More data for this
Ligand-Target Pair
Probable thymidylate synthase


(Paramecium bursaria Chlorella virus 1)
BDBM50377326
PNG
(CHEMBL402780)
Show SMILES CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCc2ccsc2)nn1)c1ccccc1
Show InChI InChI=1S/C21H22N4O3S2/c1-2-28-21(27)18-14-30-20(16-6-4-3-5-7-16)25(18)19(26)17-12-24(23-22-17)10-8-15-9-11-29-13-15/h3-7,9,11-13,18,20H,2,8,10,14H2,1H3/t18-,20?/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Paris

Curated by ChEMBL


Assay Description
Inhibition of PBCV1 Thymidylate synthase X


Citation and Details
More data for this
Ligand-Target Pair
Probable thymidylate synthase


(Paramecium bursaria Chlorella virus 1)
BDBM50377327
PNG
(CHEMBL402148)
Show SMILES CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCc2ccc(F)cc2)nn1)c1ccccc1
Show InChI InChI=1S/C23H23FN4O3S/c1-2-31-23(30)20-15-32-22(17-6-4-3-5-7-17)28(20)21(29)19-14-27(26-25-19)13-12-16-8-10-18(24)11-9-16/h3-11,14,20,22H,2,12-13,15H2,1H3/t20-,22?/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Paris

Curated by ChEMBL


Assay Description
Inhibition of PBCV1 Thymidylate synthase X


Citation and Details
More data for this
Ligand-Target Pair
Probable thymidylate synthase


(Paramecium bursaria Chlorella virus 1)
BDBM50377325
PNG
(CHEMBL257375)
Show SMILES CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCCCCCCO)nn1)c1ccccc1
Show InChI InChI=1S/C22H30N4O4S/c1-2-30-22(29)19-16-31-21(17-11-7-6-8-12-17)26(19)20(28)18-15-25(24-23-18)13-9-4-3-5-10-14-27/h6-8,11-12,15,19,21,27H,2-5,9-10,13-14,16H2,1H3/t19-,21?/m0/s1
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KEGG

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PC sid
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3.50E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Paris

Curated by ChEMBL


Assay Description
Inhibition of PBCV1 Thymidylate synthase X


Citation and Details
More data for this
Ligand-Target Pair
Probable thymidylate synthase


(Paramecium bursaria Chlorella virus 1)
BDBM50377324
PNG
(CHEMBL257162)
Show SMILES CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1)c1ccccc1
Show InChI InChI=1S/C20H22F3N5O4S/c1-2-32-18(30)15-12-33-17(13-7-4-3-5-8-13)28(15)16(29)14-11-27(26-25-14)10-6-9-24-19(31)20(21,22)23/h3-5,7-8,11,15,17H,2,6,9-10,12H2,1H3,(H,24,31)/t15-,17?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Paris

Curated by ChEMBL


Assay Description
Inhibition of PBCV1 Thymidylate synthase X


Citation and Details
More data for this
Ligand-Target Pair
Probable thymidylate synthase


(Paramecium bursaria Chlorella virus 1)
BDBM50377323
PNG
(CHEMBL255717)
Show SMILES CCCCCCC(=O)N(C[C@@H]1CSC(N1C(=O)c1ccccc1)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-3-4-11-16-23(29)27(18-24(30)31)17-22-19-33-26(21-14-9-6-10-15-21)28(22)25(32)20-12-7-5-8-13-20/h5-10,12-15,22,26H,2-4,11,16-19H2,1H3,(H,30,31)/t22-,26?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Paris

Curated by ChEMBL


Assay Description
Inhibition of PBCV1 Thymidylate synthase X


Citation and Details
More data for this
Ligand-Target Pair