BindingDB logo
myBDB logout

PubMed code 8917644

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM18808
PNG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Human Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18807
PNG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Human Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054514
PNG
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3,7-dihy...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C12H11N5OS/c1-6-9(19-7-2-4-14-5-3-7)8-10(15-6)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Human Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18795
PNG
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)
Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18795
PNG
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)
Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Human thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054512
PNG
(2-Amino-5-(4-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Human Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18807
PNG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054508
PNG
(2-Amino-6-methyl-5-(naphthalen-2-ylsulfanyl)-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C17H14N4OS/c1-9-14(13-15(19-9)20-17(18)21-16(13)22)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H4,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Human Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18808
PNG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054511
PNG
(2-Amino-5-(3,4-dimethoxy-phenylsulfanyl)-6-methyl-...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1OC
Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-8-4-5-9(21-2)10(6-8)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Human Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054512
PNG
(2-Amino-5-(4-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.60E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50054512
PNG
(2-Amino-5-(4-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on Toxoplasma gondii


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18807
PNG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18795
PNG
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)
Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Escherichia coli thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054512
PNG
(2-Amino-5-(4-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18795
PNG
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)
Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Streptococcus faecium thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18795
PNG
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)
Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Lactobacillus casei thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM18808
PNG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.17E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on Toxoplasma gondii


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18807
PNG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18807
PNG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on Pneumocystis carini


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18807
PNG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18808
PNG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on rat liver


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18808
PNG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on Pneumocystis carini


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50054511
PNG
(2-Amino-5-(3,4-dimethoxy-phenylsulfanyl)-6-methyl-...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1OC
Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-8-4-5-9(21-2)10(6-8)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on Toxoplasma gondii


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50054511
PNG
(2-Amino-5-(3,4-dimethoxy-phenylsulfanyl)-6-methyl-...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1OC
Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-8-4-5-9(21-2)10(6-8)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on rat liver


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054511
PNG
(2-Amino-5-(3,4-dimethoxy-phenylsulfanyl)-6-methyl-...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1OC
Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-8-4-5-9(21-2)10(6-8)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on Pneumocystis carini


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054511
PNG
(2-Amino-5-(3,4-dimethoxy-phenylsulfanyl)-6-methyl-...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1OC
Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-8-4-5-9(21-2)10(6-8)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.40E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054511
PNG
(2-Amino-5-(3,4-dimethoxy-phenylsulfanyl)-6-methyl-...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1OC
Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-8-4-5-9(21-2)10(6-8)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.40E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054511
PNG
(2-Amino-5-(3,4-dimethoxy-phenylsulfanyl)-6-methyl-...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1OC
Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-8-4-5-9(21-2)10(6-8)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.40E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50054512
PNG
(2-Amino-5-(4-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.46E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on rat liver (rl)


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054508
PNG
(2-Amino-6-methyl-5-(naphthalen-2-ylsulfanyl)-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C17H14N4OS/c1-9-14(13-15(19-9)20-17(18)21-16(13)22)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H4,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054508
PNG
(2-Amino-6-methyl-5-(naphthalen-2-ylsulfanyl)-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C17H14N4OS/c1-9-14(13-15(19-9)20-17(18)21-16(13)22)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H4,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054508
PNG
(2-Amino-6-methyl-5-(naphthalen-2-ylsulfanyl)-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C17H14N4OS/c1-9-14(13-15(19-9)20-17(18)21-16(13)22)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H4,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054512
PNG
(2-Amino-5-(4-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.60E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054514
PNG
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3,7-dihy...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C12H11N5OS/c1-6-9(19-7-2-4-14-5-3-7)8-10(15-6)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.90E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054514
PNG
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3,7-dihy...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C12H11N5OS/c1-6-9(19-7-2-4-14-5-3-7)8-10(15-6)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054510
PNG
(2-Amino-6-methyl-5-phenylsulfanyl-3,7-dihydro-pyrr...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C13H12N4OS/c1-7-10(19-8-5-3-2-4-6-8)9-11(15-7)16-13(14)17-12(9)18/h2-6H,1H3,(H4,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Human Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054510
PNG
(2-Amino-6-methyl-5-phenylsulfanyl-3,7-dihydro-pyrr...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C13H12N4OS/c1-7-10(19-8-5-3-2-4-6-8)9-11(15-7)16-13(14)17-12(9)18/h2-6H,1H3,(H4,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054512
PNG
(2-Amino-5-(4-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054510
PNG
(2-Amino-6-methyl-5-phenylsulfanyl-3,7-dihydro-pyrr...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C13H12N4OS/c1-7-10(19-8-5-3-2-4-6-8)9-11(15-7)16-13(14)17-12(9)18/h2-6H,1H3,(H4,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054510
PNG
(2-Amino-6-methyl-5-phenylsulfanyl-3,7-dihydro-pyrr...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C13H12N4OS/c1-7-10(19-8-5-3-2-4-6-8)9-11(15-7)16-13(14)17-12(9)18/h2-6H,1H3,(H4,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054512
PNG
(2-Amino-5-(4-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on Pneumocystis carini (pc)


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18808
PNG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18808
PNG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18808
PNG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054510
PNG
(2-Amino-6-methyl-5-phenylsulfanyl-3,7-dihydro-pyrr...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C13H12N4OS/c1-7-10(19-8-5-3-2-4-6-8)9-11(15-7)16-13(14)17-12(9)18/h2-6H,1H3,(H4,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50054514
PNG
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3,7-dihy...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C12H11N5OS/c1-6-9(19-7-2-4-14-5-3-7)8-10(15-6)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthase


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM18807
PNG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.44E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on Toxoplasma gondii


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18807
PNG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.47E+6n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The inhibitory concentration of compound against Dihydrofolate reductases on rat liver


J Med Chem 39: 4563-8 (1996)


Article DOI: 10.1021/jm960097t
BindingDB Entry DOI: 10.7270/Q27W6CVS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%