BindingDB logo
myBDB logout

PubMed code 19719239

Compile data set for download or QSAR
Found 108 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
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31777
PNG
(thieno[2,3-d]pyrimidine deriv., 2)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31776
PNG
(thieno[2,3-d]pyrimidine deriv., 1)
Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31782
PNG
(thieno[2,3-d]pyrimidine deriv., 2e)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-6-3-4-7(15)8(16)5-6)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31784
PNG
(thieno[2,3-d]pyrimidine deriv., 2g)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C18H15N3OS2/c1-2-13-15(14-16(22)20-18(19)21-17(14)24-13)23-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H3,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31780
PNG
(thieno[2,3-d]pyrimidine deriv., 2c)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O3S2/c1-2-9-11(10-12(19)16-14(15)17-13(10)23-9)22-8-5-3-7(4-6-8)18(20)21/h3-6H,2H2,1H3,(H3,15,16,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31779
PNG
(thieno[2,3-d]pyrimidine deriv., 2b)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31788
PNG
(thieno[2,3-d]pyrimidine deriv., 2k)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-4-7(15)6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31787
PNG
(thieno[2,3-d]pyrimidine deriv., 2j)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31783
PNG
(thieno[2,3-d]pyrimidine deriv., 2f)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-8-4-6(15)3-7(16)5-8)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31781
PNG
(thieno[2,3-d]pyrimidine deriv., 2d)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC
Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31785
PNG
(thieno[2,3-d]pyrimidine deriv., 2h)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C13H12N4OS2/c1-2-8-10(19-7-3-5-15-6-4-7)9-11(18)16-13(14)17-12(9)20-8/h3-6H,2H2,1H3,(H3,14,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31777
PNG
(thieno[2,3-d]pyrimidine deriv., 2)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31777
PNG
(thieno[2,3-d]pyrimidine deriv., 2)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31776
PNG
(thieno[2,3-d]pyrimidine deriv., 1)
Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31789
PNG
(thieno[2,3-d]pyrimidine deriv., 2l)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H17N3O3S2/c1-4-11-13(12-14(20)18-16(17)19-15(12)24-11)23-10-6-8(21-2)5-9(7-10)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31786
PNG
(thieno[2,3-d]pyrimidine deriv., 2i)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31790
PNG
(thieno[2,3-d]pyrimidine deriv., 2m)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-8-11(20-9-6-4-3-5-7(9)15)10-12(19)17-14(16)18-13(10)21-8/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31778
PNG
(thieno[2,3-d]pyrimidine deriv., 2a)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C14H13N3OS2/c1-2-9-11(19-8-6-4-3-5-7-8)10-12(18)16-14(15)17-13(10)20-9/h3-7H,2H2,1H3,(H3,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31776
PNG
(thieno[2,3-d]pyrimidine deriv., 1)
Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31776
PNG
(thieno[2,3-d]pyrimidine deriv., 1)
Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31776
PNG
(thieno[2,3-d]pyrimidine deriv., 1)
Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31777
PNG
(thieno[2,3-d]pyrimidine deriv., 2)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 54n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 85n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31777
PNG
(thieno[2,3-d]pyrimidine deriv., 2)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31776
PNG
(thieno[2,3-d]pyrimidine deriv., 1)
Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31780
PNG
(thieno[2,3-d]pyrimidine deriv., 2c)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O3S2/c1-2-9-11(10-12(19)16-14(15)17-13(10)23-9)22-8-5-3-7(4-6-8)18(20)21/h3-6H,2H2,1H3,(H3,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31782
PNG
(thieno[2,3-d]pyrimidine deriv., 2e)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-6-3-4-7(15)8(16)5-6)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31787
PNG
(thieno[2,3-d]pyrimidine deriv., 2j)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31780
PNG
(thieno[2,3-d]pyrimidine deriv., 2c)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O3S2/c1-2-9-11(10-12(19)16-14(15)17-13(10)23-9)22-8-5-3-7(4-6-8)18(20)21/h3-6H,2H2,1H3,(H3,15,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31785
PNG
(thieno[2,3-d]pyrimidine deriv., 2h)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C13H12N4OS2/c1-2-8-10(19-7-3-5-15-6-4-7)9-11(18)16-13(14)17-12(9)20-8/h3-6H,2H2,1H3,(H3,14,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31783
PNG
(thieno[2,3-d]pyrimidine deriv., 2f)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-8-4-6(15)3-7(16)5-8)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31782
PNG
(thieno[2,3-d]pyrimidine deriv., 2e)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-6-3-4-7(15)8(16)5-6)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31788
PNG
(thieno[2,3-d]pyrimidine deriv., 2k)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-4-7(15)6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31779
PNG
(thieno[2,3-d]pyrimidine deriv., 2b)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31785
PNG
(thieno[2,3-d]pyrimidine deriv., 2h)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C13H12N4OS2/c1-2-8-10(19-7-3-5-15-6-4-7)9-11(18)16-13(14)17-12(9)20-8/h3-6H,2H2,1H3,(H3,14,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31788
PNG
(thieno[2,3-d]pyrimidine deriv., 2k)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-4-7(15)6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31787
PNG
(thieno[2,3-d]pyrimidine deriv., 2j)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31789
PNG
(thieno[2,3-d]pyrimidine deriv., 2l)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H17N3O3S2/c1-4-11-13(12-14(20)18-16(17)19-15(12)24-11)23-10-6-8(21-2)5-9(7-10)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31790
PNG
(thieno[2,3-d]pyrimidine deriv., 2m)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-8-11(20-9-6-4-3-5-7(9)15)10-12(19)17-14(16)18-13(10)21-8/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31786
PNG
(thieno[2,3-d]pyrimidine deriv., 2i)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31783
PNG
(thieno[2,3-d]pyrimidine deriv., 2f)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-8-4-6(15)3-7(16)5-8)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31779
PNG
(thieno[2,3-d]pyrimidine deriv., 2b)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31781
PNG
(thieno[2,3-d]pyrimidine deriv., 2d)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC
Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31782
PNG
(thieno[2,3-d]pyrimidine deriv., 2e)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-6-3-4-7(15)8(16)5-6)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31780
PNG
(thieno[2,3-d]pyrimidine deriv., 2c)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O3S2/c1-2-9-11(10-12(19)16-14(15)17-13(10)23-9)22-8-5-3-7(4-6-8)18(20)21/h3-6H,2H2,1H3,(H3,15,16,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31777
PNG
(thieno[2,3-d]pyrimidine deriv., 2)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

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



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31784
PNG
(thieno[2,3-d]pyrimidine deriv., 2g)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C18H15N3OS2/c1-2-13-15(14-16(22)20-18(19)21-17(14)24-13)23-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H3,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31790
PNG
(thieno[2,3-d]pyrimidine deriv., 2m)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-8-11(20-9-6-4-3-5-7(9)15)10-12(19)17-14(16)18-13(10)21-8/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31789
PNG
(thieno[2,3-d]pyrimidine deriv., 2l)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H17N3O3S2/c1-4-11-13(12-14(20)18-16(17)19-15(12)24-11)23-10-6-8(21-2)5-9(7-10)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31783
PNG
(thieno[2,3-d]pyrimidine deriv., 2f)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-8-4-6(15)3-7(16)5-8)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31786
PNG
(thieno[2,3-d]pyrimidine deriv., 2i)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31784
PNG
(thieno[2,3-d]pyrimidine deriv., 2g)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C18H15N3OS2/c1-2-13-15(14-16(22)20-18(19)21-17(14)24-13)23-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H3,19,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31783
PNG
(thieno[2,3-d]pyrimidine deriv., 2f)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-8-4-6(15)3-7(16)5-8)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31785
PNG
(thieno[2,3-d]pyrimidine deriv., 2h)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C13H12N4OS2/c1-2-8-10(19-7-3-5-15-6-4-7)9-11(18)16-13(14)17-12(9)20-8/h3-6H,2H2,1H3,(H3,14,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31780
PNG
(thieno[2,3-d]pyrimidine deriv., 2c)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O3S2/c1-2-9-11(10-12(19)16-14(15)17-13(10)23-9)22-8-5-3-7(4-6-8)18(20)21/h3-6H,2H2,1H3,(H3,15,16,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31789
PNG
(thieno[2,3-d]pyrimidine deriv., 2l)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H17N3O3S2/c1-4-11-13(12-14(20)18-16(17)19-15(12)24-11)23-10-6-8(21-2)5-9(7-10)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31788
PNG
(thieno[2,3-d]pyrimidine deriv., 2k)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-4-7(15)6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31790
PNG
(thieno[2,3-d]pyrimidine deriv., 2m)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-8-11(20-9-6-4-3-5-7(9)15)10-12(19)17-14(16)18-13(10)21-8/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31785
PNG
(thieno[2,3-d]pyrimidine deriv., 2h)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C13H12N4OS2/c1-2-8-10(19-7-3-5-15-6-4-7)9-11(18)16-13(14)17-12(9)20-8/h3-6H,2H2,1H3,(H3,14,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31784
PNG
(thieno[2,3-d]pyrimidine deriv., 2g)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C18H15N3OS2/c1-2-13-15(14-16(22)20-18(19)21-17(14)24-13)23-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H3,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31787
PNG
(thieno[2,3-d]pyrimidine deriv., 2j)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31779
PNG
(thieno[2,3-d]pyrimidine deriv., 2b)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31787
PNG
(thieno[2,3-d]pyrimidine deriv., 2j)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31782
PNG
(thieno[2,3-d]pyrimidine deriv., 2e)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-6-3-4-7(15)8(16)5-6)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31789
PNG
(thieno[2,3-d]pyrimidine deriv., 2l)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H17N3O3S2/c1-4-11-13(12-14(20)18-16(17)19-15(12)24-11)23-10-6-8(21-2)5-9(7-10)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31788
PNG
(thieno[2,3-d]pyrimidine deriv., 2k)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-4-7(15)6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31784
PNG
(thieno[2,3-d]pyrimidine deriv., 2g)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C18H15N3OS2/c1-2-13-15(14-16(22)20-18(19)21-17(14)24-13)23-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H3,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31779
PNG
(thieno[2,3-d]pyrimidine deriv., 2b)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31790
PNG
(thieno[2,3-d]pyrimidine deriv., 2m)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-8-11(20-9-6-4-3-5-7(9)15)10-12(19)17-14(16)18-13(10)21-8/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31786
PNG
(thieno[2,3-d]pyrimidine deriv., 2i)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM31778
PNG
(thieno[2,3-d]pyrimidine deriv., 2a)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C14H13N3OS2/c1-2-9-11(19-8-6-4-3-5-7-8)10-12(18)16-14(15)17-13(10)20-9/h3-7H,2H2,1H3,(H3,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31783
PNG
(thieno[2,3-d]pyrimidine deriv., 2f)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-8-4-6(15)3-7(16)5-8)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.80E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31786
PNG
(thieno[2,3-d]pyrimidine deriv., 2i)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31788
PNG
(thieno[2,3-d]pyrimidine deriv., 2k)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-4-7(15)6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31781
PNG
(thieno[2,3-d]pyrimidine deriv., 2d)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC
Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM31778
PNG
(thieno[2,3-d]pyrimidine deriv., 2a)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C14H13N3OS2/c1-2-9-11(19-8-6-4-3-5-7-8)10-12(18)16-14(15)17-13(10)20-9/h3-7H,2H2,1H3,(H3,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31778
PNG
(thieno[2,3-d]pyrimidine deriv., 2a)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C14H13N3OS2/c1-2-9-11(19-8-6-4-3-5-7-8)10-12(18)16-14(15)17-13(10)20-9/h3-7H,2H2,1H3,(H3,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 9.50E+3n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31782
PNG
(thieno[2,3-d]pyrimidine deriv., 2e)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-2-9-11(21-6-3-4-7(15)8(16)5-6)10-12(20)18-14(17)19-13(10)22-9/h3-5H,2H2,1H3,(H3,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM18771
PNG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31781
PNG
(thieno[2,3-d]pyrimidine deriv., 2d)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC
Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.30E+4n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31781
PNG
(thieno[2,3-d]pyrimidine deriv., 2d)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC
Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.30E+4n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31789
PNG
(thieno[2,3-d]pyrimidine deriv., 2l)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H17N3O3S2/c1-4-11-13(12-14(20)18-16(17)19-15(12)24-11)23-10-6-8(21-2)5-9(7-10)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.70E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31781
PNG
(thieno[2,3-d]pyrimidine deriv., 2d)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC
Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.80E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM31778
PNG
(thieno[2,3-d]pyrimidine deriv., 2a)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C14H13N3OS2/c1-2-9-11(19-8-6-4-3-5-7-8)10-12(18)16-14(15)17-13(10)20-9/h3-7H,2H2,1H3,(H3,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/a7.430



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31784
PNG
(thieno[2,3-d]pyrimidine deriv., 2g)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C18H15N3OS2/c1-2-13-15(14-16(22)20-18(19)21-17(14)24-13)23-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H3,19,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31787
PNG
(thieno[2,3-d]pyrimidine deriv., 2j)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31786
PNG
(thieno[2,3-d]pyrimidine deriv., 2i)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.10E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31785
PNG
(thieno[2,3-d]pyrimidine deriv., 2h)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Show InChI InChI=1S/C13H12N4OS2/c1-2-8-10(19-7-3-5-15-6-4-7)9-11(18)16-13(14)17-12(9)20-8/h3-6H,2H2,1H3,(H3,14,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31790
PNG
(thieno[2,3-d]pyrimidine deriv., 2m)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-8-11(20-9-6-4-3-5-7(9)15)10-12(19)17-14(16)18-13(10)21-8/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31778
PNG
(thieno[2,3-d]pyrimidine deriv., 2a)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
Show InChI InChI=1S/C14H13N3OS2/c1-2-9-11(19-8-6-4-3-5-7-8)10-12(18)16-14(15)17-13(10)20-9/h3-7H,2H2,1H3,(H3,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31780
PNG
(thieno[2,3-d]pyrimidine deriv., 2c)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O3S2/c1-2-9-11(10-12(19)16-14(15)17-13(10)23-9)22-8-5-3-7(4-6-8)18(20)21/h3-6H,2H2,1H3,(H3,15,16,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM31779
PNG
(thieno[2,3-d]pyrimidine deriv., 2b)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



Duquesne University



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 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a>3.40E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)


Article DOI: 10.1021/jm900490a
BindingDB Entry DOI: 10.7270/Q2CR5RPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%