Found 59 hits of Enzyme Inhibition Constant Data 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 |
|---|
Dihydrofolate reductase
(Escherichia coli) | 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
| Article
PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
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
Article
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 dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
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
| Article
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 dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
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
| Article
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 dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50051913
(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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
| Article
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 dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
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
Article
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 dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM50056235
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
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 dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
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 dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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
| Article
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 dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
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 dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50051913
(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50050387
(6-(Naphthalen-1-ylaminomethyl)-pyrido[2,3-d]pyrimi...)Show InChI InChI=1S/C18H16N6/c19-16-14-8-11(10-22-17(14)24-18(20)23-16)9-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-8,10,21H,9H2,(H4,19,20,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50051913
(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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
| Article
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 dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50050387
(6-(Naphthalen-1-ylaminomethyl)-pyrido[2,3-d]pyrimi...)Show InChI InChI=1S/C18H16N6/c19-16-14-8-11(10-22-17(14)24-18(20)23-16)9-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-8,10,21H,9H2,(H4,19,20,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135139
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135139
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135139
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135144
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135143
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[2,3-d]py...)Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135137
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)Show InChI InChI=1S/C14H12Cl2N6/c15-10-2-1-8(4-11(10)16)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50056235
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135137
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)Show InChI InChI=1S/C14H12Cl2N6/c15-10-2-1-8(4-11(10)16)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135144
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,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
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135134
(6-Phenylaminomethyl-pyrido[2,3-d]pyrimidine-2,4-di...)Show InChI InChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50056235
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135141
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50050386
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...)Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135138
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-10(6-13(12)24-2)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135145
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[2,...)Show InChI InChI=1S/C14H11Cl3N6/c15-9-2-7(3-10(16)11(9)17)20-4-6-1-8-12(18)22-14(19)23-13(8)21-5-6/h1-3,5,20H,4H2,(H4,18,19,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135138
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-10(6-13(12)24-2)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135141
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135142
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135137
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)Show InChI InChI=1S/C14H12Cl2N6/c15-10-2-1-8(4-11(10)16)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135143
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[2,3-d]py...)Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135138
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-10(6-13(12)24-2)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50050387
(6-(Naphthalen-1-ylaminomethyl)-pyrido[2,3-d]pyrimi...)Show InChI InChI=1S/C18H16N6/c19-16-14-8-11(10-22-17(14)24-18(20)23-16)9-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-8,10,21H,9H2,(H4,19,20,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135143
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[2,3-d]py...)Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135135
(6-(Naphthalen-2-ylaminomethyl)-pyrido[2,3-d]pyrimi...)Show InChI InChI=1S/C18H16N6/c19-16-15-7-11(10-22-17(15)24-18(20)23-16)9-21-14-6-5-12-3-1-2-4-13(12)8-14/h1-8,10,21H,9H2,(H4,19,20,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135145
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[2,...)Show InChI InChI=1S/C14H11Cl3N6/c15-9-2-7(3-10(16)11(9)17)20-4-6-1-8-12(18)22-14(19)23-13(8)21-5-6/h1-3,5,20H,4H2,(H4,18,19,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50050386
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...)Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50050386
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...)Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135144
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135135
(6-(Naphthalen-2-ylaminomethyl)-pyrido[2,3-d]pyrimi...)Show InChI InChI=1S/C18H16N6/c19-16-15-7-11(10-22-17(15)24-18(20)23-16)9-21-14-6-5-12-3-1-2-4-13(12)8-14/h1-8,10,21H,9H2,(H4,19,20,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135134
(6-Phenylaminomethyl-pyrido[2,3-d]pyrimidine-2,4-di...)Show InChI InChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135134
(6-Phenylaminomethyl-pyrido[2,3-d]pyrimidine-2,4-di...)Show InChI InChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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
KEGG
UniProtKB/SwissProt
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DrugBank
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| Purchase
CHEMBL
DrugBank
MCE
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MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
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 dihydrofolate reductase from toxoplasma gondii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135145
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[2,...)Show InChI InChI=1S/C14H11Cl3N6/c15-9-2-7(3-10(16)11(9)17)20-4-6-1-8-12(18)22-14(19)23-13(8)21-5-6/h1-3,5,20H,4H2,(H4,18,19,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135135
(6-(Naphthalen-2-ylaminomethyl)-pyrido[2,3-d]pyrimi...)Show InChI InChI=1S/C18H16N6/c19-16-15-7-11(10-22-17(15)24-18(20)23-16)9-21-14-6-5-12-3-1-2-4-13(12)8-14/h1-8,10,21H,9H2,(H4,19,20,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135142
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135142
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135141
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | 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
KEGG
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| Purchase
CHEMBL
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MCE
KEGG
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PC cid
PC sid
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UniChem
Patents
Similars
| PDB
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 dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM50135140
(6-[(Methyl-phenyl-amino)-methyl]-pyrido[2,3-d]pyri...)Show InChI InChI=1S/C15H16N6/c1-21(11-5-3-2-4-6-11)9-10-7-12-13(16)19-15(17)20-14(12)18-8-10/h2-8H,9H2,1H3,(H4,16,17,18,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
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
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
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PC cid
PC sid
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UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50135140
(6-[(Methyl-phenyl-amino)-methyl]-pyrido[2,3-d]pyri...)Show InChI InChI=1S/C15H16N6/c1-21(11-5-3-2-4-6-11)9-10-7-12-13(16)19-15(17)20-14(12)18-8-10/h2-8H,9H2,1H3,(H4,16,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.95E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from rat liver. |
J Med Chem 46: 5074-82 (2003)
Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9 |
More data for this
Ligand-Target Pair | |
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