Found 28 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
(Mycobacterium avium) | 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/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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 Mycobacterium avium dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50142877
(2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PE...)Show InChI InChI=1S/C19H22N4O4/c1-26-15-10-12(9-14-11-22-19(21)23-18(14)20)8-13(17(15)27-2)6-4-3-5-7-16(24)25/h8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)(H4,20,21,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Pneumocystis carinii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Mycobacterium avium) | 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/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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 Mycobacterium avium dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mycobacterium avium) | BDBM50142877
(2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PE...)Show InChI InChI=1S/C19H22N4O4/c1-26-15-10-12(9-14-11-22-19(21)23-18(14)20)8-13(17(15)27-2)6-4-3-5-7-16(24)25/h8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)(H4,20,21,22,23) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
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
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| 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 activity of the compound against rat dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Mycobacterium avium) | 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
UniProtKB/TrEMBL
B.MOAD
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 Mycobacterium avium dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
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
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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 Toxoplasma gondii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mycobacterium avium) | BDBM50127145
(6-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C18H20N4O3/c1-25-15-8-7-12(5-3-2-4-6-16(23)24)9-13(15)10-14-11-21-18(20)22-17(14)19/h7-9,11H,2,4,6,10H2,1H3,(H,23,24)(H4,19,20,21,22) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against rat dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mycobacterium avium) | BDBM50142876
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2ccc(cc2)C(O)=O)c1OC Show InChI InChI=1S/C22H20N4O4/c1-29-18-11-14(10-17-12-25-22(24)26-20(17)23)9-16(19(18)30-2)8-5-13-3-6-15(7-4-13)21(27)28/h3-4,6-7,9,11-12H,10H2,1-2H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
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
| 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 Pneumocystis carinii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
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
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50127145
(6-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C18H20N4O3/c1-25-15-8-7-12(5-3-2-4-6-16(23)24)9-13(15)10-14-11-21-18(20)22-17(14)19/h7-9,11H,2,4,6,10H2,1H3,(H,23,24)(H4,19,20,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Pneumocystis carinii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50127145
(6-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C18H20N4O3/c1-25-15-8-7-12(5-3-2-4-6-16(23)24)9-13(15)10-14-11-21-18(20)22-17(14)19/h7-9,11H,2,4,6,10H2,1H3,(H,23,24)(H4,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50142877
(2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PE...)Show InChI InChI=1S/C19H22N4O4/c1-26-15-10-12(9-14-11-22-19(21)23-18(14)20)8-13(17(15)27-2)6-4-3-5-7-16(24)25/h8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)(H4,20,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
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
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Pneumocystis carinii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mycobacterium avium) | BDBM50142878
(CHEMBL53193 | N*2*-Methyl-5-(3,4,5-trimethoxy-benz...)Show InChI InChI=1S/C15H20N4O3/c1-17-15-18-8-10(14(16)19-15)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-8H,5H2,1-4H3,(H3,16,17,18,19) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | 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
UniProtKB/SwissProt
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 Toxoplasma gondii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50142876
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2ccc(cc2)C(O)=O)c1OC Show InChI InChI=1S/C22H20N4O4/c1-29-18-11-14(10-17-12-25-22(24)26-20(17)23)9-16(19(18)30-2)8-5-13-3-6-15(7-4-13)21(27)28/h3-4,6-7,9,11-12H,10H2,1-2H3,(H,27,28)(H4,23,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50142876
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2ccc(cc2)C(O)=O)c1OC Show InChI InChI=1S/C22H20N4O4/c1-29-18-11-14(10-17-12-25-22(24)26-20(17)23)9-16(19(18)30-2)8-5-13-3-6-15(7-4-13)21(27)28/h3-4,6-7,9,11-12H,10H2,1-2H3,(H,27,28)(H4,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 Pneumocystis carinii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
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 Pneumocystis carinii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50127145
(6-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C18H20N4O3/c1-25-15-8-7-12(5-3-2-4-6-16(23)24)9-13(15)10-14-11-21-18(20)22-17(14)19/h7-9,11H,2,4,6,10H2,1H3,(H,23,24)(H4,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against rat dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM50142878
(CHEMBL53193 | N*2*-Methyl-5-(3,4,5-trimethoxy-benz...)Show InChI InChI=1S/C15H20N4O3/c1-17-15-18-8-10(14(16)19-15)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-8H,5H2,1-4H3,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 Toxoplasma gondii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50142877
(2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PE...)Show InChI InChI=1S/C19H22N4O4/c1-26-15-10-12(9-14-11-22-19(21)23-18(14)20)8-13(17(15)27-2)6-4-3-5-7-16(24)25/h8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)(H4,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
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 activity of the compound against rat dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
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 activity of the compound against rat dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50142878
(CHEMBL53193 | N*2*-Methyl-5-(3,4,5-trimethoxy-benz...)Show InChI InChI=1S/C15H20N4O3/c1-17-15-18-8-10(14(16)19-15)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-8H,5H2,1-4H3,(H3,16,17,18,19) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
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 Pneumocystis carinii dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50142876
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2ccc(cc2)C(O)=O)c1OC Show InChI InChI=1S/C22H20N4O4/c1-29-18-11-14(10-17-12-25-22(24)26-20(17)23)9-16(19(18)30-2)8-5-13-3-6-15(7-4-13)21(27)28/h3-4,6-7,9,11-12H,10H2,1-2H3,(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
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against rat dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM50142878
(CHEMBL53193 | N*2*-Methyl-5-(3,4,5-trimethoxy-benz...)Show InChI InChI=1S/C15H20N4O3/c1-17-15-18-8-10(14(16)19-15)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-8H,5H2,1-4H3,(H3,16,17,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 activity of the compound against rat dihydrofolate reductase |
Bioorg Med Chem Lett 14: 1811-5 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.103
BindingDB Entry DOI: 10.7270/Q2PG1R5C |
More data for this
Ligand-Target Pair | |
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