Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50038633 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262599
(2,4-Diamino-5-propyl-6-(phenylsulfanyl)-7H-pyrrolo...)Show InChI InChI=1S/C15H17N5S/c1-2-6-10-11-12(16)18-15(17)20-13(11)19-14(10)21-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H5,16,17,18,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262761
(2,4-Diamino-5-isopropyl-6-(2',6'-dichlorophenylsul...)Show SMILES CC(C)c1c(Sc2c(Cl)cccc2Cl)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C15H15Cl2N5S/c1-6(2)9-10-12(18)20-15(19)22-13(10)21-14(9)23-11-7(16)4-3-5-8(11)17/h3-6H,1-2H3,(H5,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262807
(2,4-Diamino-5-isopropyl-6-(3',4'-dichlorophenylsul...)Show SMILES CC(C)c1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C15H15Cl2N5S/c1-6(2)10-11-12(18)20-15(19)22-13(11)21-14(10)23-7-3-4-8(16)9(17)5-7/h3-6H,1-2H3,(H5,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262765
(2,4-Diamino-5-isopropyl-6-(2',5'-dimethoxyphenylsu...)Show SMILES COc1ccc(OC)c(Sc2[nH]c3nc(N)nc(N)c3c2C(C)C)c1 Show InChI InChI=1S/C17H21N5O2S/c1-8(2)12-13-14(18)20-17(19)22-15(13)21-16(12)25-11-7-9(23-3)5-6-10(11)24-4/h5-8H,1-4H3,(H5,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262766
(2,4-Diamino-5-isopropyl-6-(3',4'-dimethoxyphenylsu...)Show InChI InChI=1S/C17H21N5O2S/c1-8(2)12-13-14(18)20-17(19)22-15(13)21-16(12)25-9-5-6-10(23-3)11(7-9)24-4/h5-8H,1-4H3,(H5,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262806
(-Diamino-5-isopropyl-6-(2'-naphthylsulfanyl)-7H-py...)Show SMILES CC(C)c1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C19H19N5S/c1-10(2)14-15-16(20)22-19(21)24-17(15)23-18(14)25-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3,(H5,20,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262764
(2,4-Diamino-5-isopropyl-6-(4'-methoxyphenylsulfany...)Show InChI InChI=1S/C16H19N5OS/c1-8(2)11-12-13(17)19-16(18)21-14(12)20-15(11)23-10-6-4-9(22-3)5-7-10/h4-8H,1-3H3,(H5,17,18,19,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262763
(2,4-Diamino-5-isopropyl-6-(phenylsulfanyl)-7H-pyrr...)Show InChI InChI=1S/C15H17N5S/c1-8(2)10-11-12(16)18-15(17)20-13(11)19-14(10)21-9-6-4-3-5-7-9/h3-8H,1-2H3,(H5,16,17,18,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18796
((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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262602
(2,4-Diamino-5-propyl-6-(3',4'-dimethoxyphenylsulfa...)Show SMILES CCCc1c(Sc2ccc(OC)c(OC)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C17H21N5O2S/c1-4-5-10-13-14(18)20-17(19)22-15(13)21-16(10)25-9-6-7-11(23-2)12(8-9)24-3/h6-8H,4-5H2,1-3H3,(H5,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262601
(2,4-Diamino-5-propyl-6-(2',5'-dimethoxyphenylsulfa...)Show InChI InChI=1S/C17H21N5O2S/c1-4-5-10-13-14(18)20-17(19)22-15(13)21-16(10)25-12-8-9(23-2)6-7-11(12)24-3/h6-8H,4-5H2,1-3H3,(H5,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262603
(2,4-Diamino-5-propyl-6-(1'-naphthylsulfanyl)-7H-py...)Show InChI InChI=1S/C19H19N5S/c1-2-6-13-15-16(20)22-19(21)24-17(15)23-18(13)25-14-10-5-8-11-7-3-4-9-12(11)14/h3-5,7-10H,2,6H2,1H3,(H5,20,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262805
(2,4-Diamino-5-isopropyl-6-(1'-naphthylsulfanyl)-7H...)Show SMILES CC(C)c1c(Sc2cccc3ccccc23)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C19H19N5S/c1-10(2)14-15-16(20)22-19(21)24-17(15)23-18(14)25-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H5,20,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262762
(2,4-Diamino-5-isopropyl-6-(2',6'-dimethylphenylsul...)Show InChI InChI=1S/C17H21N5S/c1-8(2)11-12-14(18)20-17(19)22-15(12)21-16(11)23-13-9(3)6-5-7-10(13)4/h5-8H,1-4H3,(H5,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262600
(2,4-Diamino-5-propyl-6-(4'-methoxyphenylsulfanyl)-...)Show InChI InChI=1S/C16H19N5OS/c1-3-4-11-12-13(17)19-16(18)21-14(12)20-15(11)23-10-7-5-9(22-2)6-8-10/h5-8H,3-4H2,1-2H3,(H5,17,18,19,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50262653
(2,4-Diamino-5-propyl-6-(2'-naphthylsulfanyl)-7H-py...)Show InChI InChI=1S/C19H19N5S/c1-2-5-14-15-16(20)22-19(21)24-17(15)23-18(14)25-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3,(H5,20,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18050
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v
BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this
Ligand-Target Pair | |
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