Found 69 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
(Homo sapiens (Human)) | BDBM50141010
(6-(5-Chloro-2-methyl-benzyl)-5-methyl-pyrido[2,3-d...)Show InChI InChI=1S/C16H16ClN5/c1-8-3-4-12(17)6-10(8)5-11-7-20-15-13(9(11)2)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141011
(6-(3,5-Dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyr...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(4-10-5-12(23-2)7-13(6-10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h5-8H,4H2,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141012
(3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C21H18N4O3/c1-28-18-8-7-14(6-5-13-3-2-4-15(9-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h2-4,7-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141011
(6-(3,5-Dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyr...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(4-10-5-12(23-2)7-13(6-10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h5-8H,4H2,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50141010
(6-(5-Chloro-2-methyl-benzyl)-5-methyl-pyrido[2,3-d...)Show InChI InChI=1S/C16H16ClN5/c1-8-3-4-12(17)6-10(8)5-11-7-20-15-13(9(11)2)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of humans |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141009
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141012
(3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C21H18N4O3/c1-28-18-8-7-14(6-5-13-3-2-4-15(9-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h2-4,7-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141012
(3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C21H18N4O3/c1-28-18-8-7-14(6-5-13-3-2-4-15(9-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h2-4,7-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141014
(3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCCOc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H24N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,3-4,9,11H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141015
(4-{2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H22N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,2-3,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127146
(7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C19H26N4O3/c1-26-16-9-8-13(6-4-2-3-5-7-17(24)25)10-14(16)11-15-12-22-19(21)23-18(15)20/h8-10,12H,2-7,11H2,1H3,(H,24,25)(H4,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127143
(2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1ccccc1C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,10,12H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127149
(3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127150
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(OCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C20H20N4O4/c1-27-17-7-6-16(28-11-12-2-4-13(5-3-12)19(25)26)9-14(17)8-15-10-23-20(22)24-18(15)21/h2-7,9-10H,8,11H2,1H3,(H,25,26)(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127146
(7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C19H26N4O3/c1-26-16-9-8-13(6-4-2-3-5-7-17(24)25)10-14(16)11-15-12-22-19(21)23-18(15)20/h8-10,12H,2-7,11H2,1H3,(H,24,25)(H4,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141017
(2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-7-13(6-8-14-4-2-3-5-17(14)20(26)27)10-15(18)11-16-12-24-21(23)25-19(16)22/h2-5,7,9-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127147
(3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(OCc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C20H20N4O4/c1-27-17-6-5-16(28-11-12-3-2-4-13(7-12)19(25)26)9-14(17)8-15-10-23-20(22)24-18(15)21/h2-7,9-10H,8,11H2,1H3,(H,25,26)(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141014
(3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCCOc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H24N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,3-4,9,11H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141016
(2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCCOc2ccccc2C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H24N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141009
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141013
((E)-2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-m...)Show SMILES COc1ccc(\C=C\COc2ccccc2C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H22N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-9,11,13H,10,12H2,1H3,(H,27,28)(H4,23,24,25,26)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127143
(2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1ccccc1C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,10,12H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127146
(7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C19H26N4O3/c1-26-16-9-8-13(6-4-2-3-5-7-17(24)25)10-14(16)11-15-12-22-19(21)23-18(15)20/h8-10,12H,2-7,11H2,1H3,(H,24,25)(H4,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127147
(3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(OCc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C20H20N4O4/c1-27-17-6-5-16(28-11-12-3-2-4-13(7-12)19(25)26)9-14(17)8-15-10-23-20(22)24-18(15)21/h2-7,9-10H,8,11H2,1H3,(H,25,26)(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50141012
(3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C21H18N4O3/c1-28-18-8-7-14(6-5-13-3-2-4-15(9-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h2-4,7-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141016
(2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCCOc2ccccc2C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H24N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127147
(3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(OCc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C20H20N4O4/c1-27-17-6-5-16(28-11-12-3-2-4-13(7-12)19(25)26)9-14(17)8-15-10-23-20(22)24-18(15)21/h2-7,9-10H,8,11H2,1H3,(H,25,26)(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141014
(3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCCOc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H24N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,3-4,9,11H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127150
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(OCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C20H20N4O4/c1-27-17-7-6-16(28-11-12-2-4-13(5-3-12)19(25)26)9-14(17)8-15-10-23-20(22)24-18(15)21/h2-7,9-10H,8,11H2,1H3,(H,25,26)(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141009
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141015
(4-{2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H22N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,2-3,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127149
(3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141017
(2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-7-13(6-8-14-4-2-3-5-17(14)20(26)27)10-15(18)11-16-12-24-21(23)25-19(16)22/h2-5,7,9-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Cryptosporium parvum of bovine origin |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127150
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(OCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C20H20N4O4/c1-27-17-7-6-16(28-11-12-2-4-13(5-3-12)19(25)26)9-14(17)8-15-10-23-20(22)24-18(15)21/h2-7,9-10H,8,11H2,1H3,(H,25,26)(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127143
(2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1ccccc1C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,10,12H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141013
((E)-2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-m...)Show SMILES COc1ccc(\C=C\COc2ccccc2C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H22N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-9,11,13H,10,12H2,1H3,(H,27,28)(H4,23,24,25,26)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50141014
(3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCCOc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H24N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,3-4,9,11H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141017
(2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-7-13(6-8-14-4-2-3-5-17(14)20(26)27)10-15(18)11-16-12-24-21(23)25-19(16)22/h2-5,7,9-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50127146
(7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C19H26N4O3/c1-26-16-9-8-13(6-4-2-3-5-7-17(24)25)10-14(16)11-15-12-22-19(21)23-18(15)20/h8-10,12H,2-7,11H2,1H3,(H,24,25)(H4,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Cryptosporium parvum of human origin |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18510
(5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...)Show InChI InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Cryptosporidium parvum of bovine origin |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127148
(5-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C17H18N4O3/c1-24-14-7-6-11(4-2-3-5-15(22)23)8-12(14)9-13-10-20-17(19)21-16(13)18/h6-8,10H,3,5,9H2,1H3,(H,22,23)(H4,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Cryptosporidium parvum of bovine origin |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127149
(3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50127143
(2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1ccccc1C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,10,12H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50141013
((E)-2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-m...)Show SMILES COc1ccc(\C=C\COc2ccccc2C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H22N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-9,11,13H,10,12H2,1H3,(H,27,28)(H4,23,24,25,26)/b5-4+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141015
(4-{2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H22N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,2-3,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141016
(2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCCOc2ccccc2C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H24N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18510
(5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...)Show InChI InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of humans |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18510
(5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...)Show InChI InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Cryptosporidium parvum of human origin |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50141009
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50141013
((E)-2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-m...)Show SMILES COc1ccc(\C=C\COc2ccccc2C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H22N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-9,11,13H,10,12H2,1H3,(H,27,28)(H4,23,24,25,26)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50141015
(4-{2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H22N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,2-3,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50127149
(3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50127147
(3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(OCc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C20H20N4O4/c1-27-17-6-5-16(28-11-12-3-2-4-13(7-12)19(25)26)9-14(17)8-15-10-23-20(22)24-18(15)21/h2-7,9-10H,8,11H2,1H3,(H,25,26)(H4,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50127150
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show SMILES COc1ccc(OCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C20H20N4O4/c1-27-17-7-6-16(28-11-12-2-4-13(5-3-12)19(25)26)9-14(17)8-15-10-23-20(22)24-18(15)21/h2-7,9-10H,8,11H2,1H3,(H,25,26)(H4,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50141017
(2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-7-13(6-8-14-4-2-3-5-17(14)20(26)27)10-15(18)11-16-12-24-21(23)25-19(16)22/h2-5,7,9-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50141016
(2-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...)Show SMILES COc1ccc(CCCOc2ccccc2C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C22H24N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50127148
(5-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C17H18N4O3/c1-24-14-7-6-11(4-2-3-5-15(22)23)8-12(14)9-13-10-20-17(19)21-16(13)18/h6-8,10H,3,5,9H2,1H3,(H,22,23)(H4,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of Cryptosporidium parvum of human origin |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50127148
(5-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C17H18N4O3/c1-24-14-7-6-11(4-2-3-5-15(22)23)8-12(14)9-13-10-20-17(19)21-16(13)18/h6-8,10H,3,5,9H2,1H3,(H,22,23)(H4,18,19,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of humans |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
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
Article
PubMed
| n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihydrofolate reductase of rat liver |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of human |
J Med Chem 47: 1475-86 (2004)
Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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