Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50005907 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) | BDBM50029766
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50029772
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM18268
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50029772
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50029766
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18268
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50042352
(5-Methyl-6-[(3,4,5-trichloro-phenylamino)-methyl]-...)Show SMILES Cc1c(CNc2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H13Cl3N6/c1-6-7(4-21-8-2-9(16)12(18)10(17)3-8)5-22-14-11(6)13(19)23-15(20)24-14/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50029766
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50042354
(CHEMBL115788 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C=O Show InChI InChI=1S/C19H22N6O4/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25(9-26)12-5-13(27-2)16(29-4)14(6-12)28-3/h5-7,9H,8H2,1-4H3,(H4,20,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50029772
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Lactobacillus casei dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031870
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-5-...)Show InChI InChI=1S/C16H16Cl2N6/c1-8-9(6-21-15-13(8)14(19)22-16(20)23-15)7-24(2)10-3-4-11(17)12(18)5-10/h3-6H,7H2,1-2H3,(H4,19,20,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50042351
(6-[(3,4-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042352
(5-Methyl-6-[(3,4,5-trichloro-phenylamino)-methyl]-...)Show SMILES Cc1c(CNc2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H13Cl3N6/c1-6-7(4-21-8-2-9(16)12(18)10(17)3-8)5-22-14-11(6)13(19)23-15(20)24-14/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50042355
(5-Methyl-6-{[methyl-(3,4,5-trichloro-phenyl)-amino...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl3N6/c1-7-8(5-22-15-12(7)14(20)23-16(21)24-15)6-25(2)9-3-10(17)13(19)11(18)4-9/h3-5H,6H2,1-2H3,(H4,20,21,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Lactobacillus casei |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042355
(5-Methyl-6-{[methyl-(3,4,5-trichloro-phenyl)-amino...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl3N6/c1-7-8(5-22-15-12(7)14(20)23-16(21)24-15)6-25(2)9-3-10(17)13(19)11(18)4-9/h3-5H,6H2,1-2H3,(H4,20,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50042355
(5-Methyl-6-{[methyl-(3,4,5-trichloro-phenyl)-amino...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl3N6/c1-7-8(5-22-15-12(7)14(20)23-16(21)24-15)6-25(2)9-3-10(17)13(19)11(18)4-9/h3-5H,6H2,1-2H3,(H4,20,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM18268
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031870
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-5-...)Show InChI InChI=1S/C16H16Cl2N6/c1-8-9(6-21-15-13(8)14(19)22-16(20)23-15)7-24(2)10-3-4-11(17)12(18)5-10/h3-6H,7H2,1-2H3,(H4,19,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042351
(6-[(3,4-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042352
(5-Methyl-6-[(3,4,5-trichloro-phenylamino)-methyl]-...)Show SMILES Cc1c(CNc2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H13Cl3N6/c1-6-7(4-21-8-2-9(16)12(18)10(17)3-8)5-22-14-11(6)13(19)23-15(20)24-14/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50042353
(CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50029772
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50042357
(CHEMBL334271 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES Cc1c(CN(C=O)c2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H13Cl3N6O/c1-7-8(4-22-15-12(7)14(20)23-16(21)24-15)5-25(6-26)9-2-10(17)13(19)11(18)3-9/h2-4,6H,5H2,1H3,(H4,20,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031870
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-5-...)Show InChI InChI=1S/C16H16Cl2N6/c1-8-9(6-21-15-13(8)14(19)22-16(20)23-15)7-24(2)10-3-4-11(17)12(18)5-10/h3-6H,7H2,1-2H3,(H4,19,20,21,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042355
(5-Methyl-6-{[methyl-(3,4,5-trichloro-phenyl)-amino...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl3N6/c1-7-8(5-22-15-12(7)14(20)23-16(21)24-15)6-25(2)9-3-10(17)13(19)11(18)4-9/h3-5H,6H2,1-2H3,(H4,20,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042354
(CHEMBL115788 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C=O Show InChI InChI=1S/C19H22N6O4/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25(9-26)12-5-13(27-2)16(29-4)14(6-12)28-3/h5-7,9H,8H2,1-4H3,(H4,20,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042353
(CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat liver dihydrofolate reductases |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50029766
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Lactobacillus casei dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042357
(CHEMBL334271 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES Cc1c(CN(C=O)c2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H13Cl3N6O/c1-7-8(4-22-15-12(7)14(20)23-16(21)24-15)5-25(6-26)9-2-10(17)13(19)11(18)3-9/h2-4,6H,5H2,1H3,(H4,20,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042351
(6-[(3,4-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042353
(CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042357
(CHEMBL334271 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES Cc1c(CN(C=O)c2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H13Cl3N6O/c1-7-8(4-22-15-12(7)14(20)23-16(21)24-15)5-25(6-26)9-2-10(17)13(19)11(18)3-9/h2-4,6H,5H2,1H3,(H4,20,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042354
(CHEMBL115788 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C=O Show InChI InChI=1S/C19H22N6O4/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25(9-26)12-5-13(27-2)16(29-4)14(6-12)28-3/h5-7,9H,8H2,1-4H3,(H4,20,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50042351
(6-[(3,4-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Lactobacillus casei |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50031870
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-5-...)Show InChI InChI=1S/C16H16Cl2N6/c1-8-9(6-21-15-13(8)14(19)22-16(20)23-15)7-24(2)10-3-4-11(17)12(18)5-10/h3-6H,7H2,1-2H3,(H4,19,20,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Lactobacillus casei |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042358
(CHEMBL117172 | N-(2,4-Diamino-5-methyl-5,6,7,8-tet...)Show SMILES COc1cc(cc(OC)c1OC)N(CC1CNc2nc(N)nc(N)c2C1C)C=O Show InChI InChI=1S/C19H26N6O4/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25(9-26)12-5-13(27-2)16(29-4)14(6-12)28-3/h5-6,9-11H,7-8H2,1-4H3,(H5,20,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042358
(CHEMBL117172 | N-(2,4-Diamino-5-methyl-5,6,7,8-tet...)Show SMILES COc1cc(cc(OC)c1OC)N(CC1CNc2nc(N)nc(N)c2C1C)C=O Show InChI InChI=1S/C19H26N6O4/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25(9-26)12-5-13(27-2)16(29-4)14(6-12)28-3/h5-6,9-11H,7-8H2,1-4H3,(H5,20,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042359
(CHEMBL114668 | N-(2,4-Diamino-5-methyl-5,8-dihydro...)Show SMILES COc1cc(cc(OC)c1OC)N(CC1C=Nc2nc(N)nc(N)c2C1C)C=O |c:16| Show InChI InChI=1S/C19H24N6O4/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25(9-26)12-5-13(27-2)16(29-4)14(6-12)28-3/h5-7,9-11H,8H2,1-4H3,(H4,20,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042359
(CHEMBL114668 | N-(2,4-Diamino-5-methyl-5,8-dihydro...)Show SMILES COc1cc(cc(OC)c1OC)N(CC1C=Nc2nc(N)nc(N)c2C1C)C=O |c:16| Show InChI InChI=1S/C19H24N6O4/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25(9-26)12-5-13(27-2)16(29-4)14(6-12)28-3/h5-7,9-11H,8H2,1-4H3,(H4,20,21,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50042356
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H26N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,9-10,21H,7-8H2,1-4H3,(H5,19,20,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50042356
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H26N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,9-10,21H,7-8H2,1-4H3,(H5,19,20,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)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
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Toxoplasma gondii dihydrofolate reductases (DHFR) |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50042357
(CHEMBL334271 | N-(2,4-Diamino-5-methyl-pyrido[2,3-...)Show SMILES Cc1c(CN(C=O)c2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C16H13Cl3N6O/c1-7-8(4-22-15-12(7)14(20)23-16(21)24-15)5-25(6-26)9-2-10(17)13(19)11(18)3-9/h2-4,6H,5H2,1H3,(H4,20,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration required to decrease cell viability in cell growth culture against breast carcinoma cells MCF-7 |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against rat liver (RL) dihydrofolate reductases (DHFR) |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Pneumocystis carinii dihydrofolate reductases (DHFR) |
J Med Chem 36: 3437-43 (1993)
BindingDB Entry DOI: 10.7270/Q2TH8KR5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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