Found 45 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 |
|---|
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 | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031867
(6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031871
(5-Chloro-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-10(7-13(26-2)16(12)27-3)22-8-9-4-5-11-14(15(9)19)17(20)24-18(21)23-11/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031871
(5-Chloro-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-10(7-13(26-2)16(12)27-3)22-8-9-4-5-11-14(15(9)19)17(20)24-18(21)23-11/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031865
(5-Chloro-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amin...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2c1Cl Show InChI InChI=1S/C19H22ClN5O3/c1-25(11-7-13(26-2)17(28-4)14(8-11)27-3)9-10-5-6-12-15(16(10)20)18(21)24-19(22)23-12/h5-8H,9H2,1-4H3,(H4,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031865
(5-Chloro-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amin...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2c1Cl Show InChI InChI=1S/C19H22ClN5O3/c1-25(11-7-13(26-2)17(28-4)14(8-11)27-3)9-10-5-6-12-15(16(10)20)18(21)24-19(22)23-12/h5-8H,9H2,1-4H3,(H4,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031865
(5-Chloro-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amin...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2c1Cl Show InChI InChI=1S/C19H22ClN5O3/c1-25(11-7-13(26-2)17(28-4)14(8-11)27-3)9-10-5-6-12-15(16(10)20)18(21)24-19(22)23-12/h5-8H,9H2,1-4H3,(H4,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031864
(6-(((4-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)Show InChI InChI=1S/C15H15ClN6/c1-22(11-5-2-9(16)3-6-11)8-10-4-7-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031866
(6-(((3-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)Show InChI InChI=1S/C15H15ClN6/c1-22(11-4-2-3-9(16)7-11)8-10-5-6-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031864
(6-(((4-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)Show InChI InChI=1S/C15H15ClN6/c1-22(11-5-2-9(16)3-6-11)8-10-4-7-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031869
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031867
(6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031873
(5-Chloro-6-[(2,5-dimethoxy-phenylamino)-methyl]-qu...)Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-4-6-13(25-2)12(7-10)21-8-9-3-5-11-14(15(9)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031869
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031871
(5-Chloro-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)Show InChI InChI=1S/C18H20ClN5O3/c1-25-12-6-10(7-13(26-2)16(12)27-3)22-8-9-4-5-11-14(15(9)19)17(20)24-18(21)23-11/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031873
(5-Chloro-6-[(2,5-dimethoxy-phenylamino)-methyl]-qu...)Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-4-6-13(25-2)12(7-10)21-8-9-3-5-11-14(15(9)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031873
(5-Chloro-6-[(2,5-dimethoxy-phenylamino)-methyl]-qu...)Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-4-6-13(25-2)12(7-10)21-8-9-3-5-11-14(15(9)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031864
(6-(((4-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)Show InChI InChI=1S/C15H15ClN6/c1-22(11-5-2-9(16)3-6-11)8-10-4-7-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031866
(6-(((3-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)Show InChI InChI=1S/C15H15ClN6/c1-22(11-4-2-3-9(16)7-11)8-10-5-6-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031868
(6-((3,4,5-trimethoxyphenylamino)methyl)pyrido[3,2-...)Show InChI InChI=1S/C17H20N6O3/c1-24-12-6-10(7-13(25-2)15(12)26-3)20-8-9-4-5-11-14(21-9)16(18)23-17(19)22-11/h4-7,20H,8H2,1-3H3,(H4,18,19,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031869
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50031872
(6-((2,5-dimethoxyphenylamino)methyl)pyrido[3,2-d]p...)Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-13(24-2)12(7-10)19-8-9-3-5-11-14(20-9)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22) | PDB
UniProtKB/SwissProt
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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 |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031867
(6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...)Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031868
(6-((3,4,5-trimethoxyphenylamino)methyl)pyrido[3,2-...)Show InChI InChI=1S/C17H20N6O3/c1-24-12-6-10(7-13(25-2)15(12)26-3)20-8-9-4-5-11-14(21-9)16(18)23-17(19)22-11/h4-7,20H,8H2,1-3H3,(H4,18,19,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50031872
(6-((2,5-dimethoxyphenylamino)methyl)pyrido[3,2-d]p...)Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-13(24-2)12(7-10)19-8-9-3-5-11-14(20-9)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031872
(6-((2,5-dimethoxyphenylamino)methyl)pyrido[3,2-d]p...)Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-13(24-2)12(7-10)19-8-9-3-5-11-14(20-9)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031866
(6-(((3-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)Show InChI InChI=1S/C15H15ClN6/c1-22(11-4-2-3-9(16)7-11)8-10-5-6-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50031868
(6-((3,4,5-trimethoxyphenylamino)methyl)pyrido[3,2-...)Show InChI InChI=1S/C17H20N6O3/c1-24-12-6-10(7-13(25-2)15(12)26-3)20-8-9-4-5-11-14(21-9)16(18)23-17(19)22-11/h4-7,20H,8H2,1-3H3,(H4,18,19,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
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
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration of the compound inhibiting T. gondii dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair | |
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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration of the compound inhibiting P. carinii dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Concentration inhibiting rat liver dihydrofolate reductase . |
J Med Chem 38: 2615-20 (1995)
BindingDB Entry DOI: 10.7270/Q2736PXG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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