Found 170 hits of ic50 data for polymerid = 50000047 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Dihydrofolate reductase
(Escherichia coli) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid) |
J Med Chem 39: 1438-46 (1996)
Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066495
(CHEMBL113816 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-me...)Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-6-13(24-2)9-14(7-11)25-3)12-4-5-16-15(8-12)17(19)22-18(20)21-16/h4-9H,10H2,1-3H3,(H4,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50027970
(5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...)Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60612
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. |
J Med Chem 39: 4825-32 (1996)
Article DOI: 10.1021/jm960491r
BindingDB Entry DOI: 10.7270/Q2668GXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition against dihydrofolate reductase enzyme of Escherichia coli |
J Med Chem 23: 535-41 (1980)
BindingDB Entry DOI: 10.7270/Q2TX3GJG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066497
(CHEMBL114354 | N*6*-Methyl-N*6*-(5,6,7,8-tetrahydr...)Show InChI InChI=1S/C20H23N5/c1-25(12-14-7-4-6-13-5-2-3-8-16(13)14)15-9-10-18-17(11-15)19(21)24-20(22)23-18/h4,6-7,9-11H,2-3,5,8,12H2,1H3,(H4,21,22,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60612
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. |
J Med Chem 39: 4825-32 (1996)
Article DOI: 10.1021/jm960491r
BindingDB Entry DOI: 10.7270/Q2668GXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase |
J Med Chem 45: 5173-81 (2002)
BindingDB Entry DOI: 10.7270/Q2805398 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18268
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase |
J Med Chem 45: 5173-81 (2002)
BindingDB Entry DOI: 10.7270/Q2805398 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR |
J Med Chem 47: 6893-901 (2004)
Article DOI: 10.1021/jm040123k
BindingDB Entry DOI: 10.7270/Q2V40W1Z |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 7 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase at 37 degree C pH 7.4 |
J Med Chem 48: 5329-36 (2005)
Article DOI: 10.1021/jm058213s
BindingDB Entry DOI: 10.7270/Q2RV0PF5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Compound was evaluated as inhibitor of Escherichia coli Dihydrofolate reductase |
J Med Chem 46: 591-600 (2003)
Article DOI: 10.1021/jm0203534
BindingDB Entry DOI: 10.7270/Q2JQ11RG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066490
(2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLA...)Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066485
(CHEMBL117750 | N*6*-Methyl-N*6*-(2,3,4-trimethoxy-...)Show SMILES COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-24(10-11-5-8-15(25-2)17(27-4)16(11)26-3)12-6-7-14-13(9-12)18(20)23-19(21)22-14/h5-9H,10H2,1-4H3,(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR |
J Med Chem 51: 5789-97 (2008)
Article DOI: 10.1021/jm8006933
BindingDB Entry DOI: 10.7270/Q2FF3T7B |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Escherichia coli Dihydrofolate reductase |
J Med Chem 43: 3125-33 (2000)
BindingDB Entry DOI: 10.7270/Q2W096N3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase (DHFR) |
J Med Chem 45: 1942-8 (2002)
BindingDB Entry DOI: 10.7270/Q2B56J27 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR |
J Med Chem 51: 5789-97 (2008)
Article DOI: 10.1021/jm8006933
BindingDB Entry DOI: 10.7270/Q2FF3T7B |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18268
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50404462
(4-Hydroxytrimethoprim | CHEMBL1181)Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60612
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. |
J Med Chem 39: 4825-32 (1996)
Article DOI: 10.1021/jm960491r
BindingDB Entry DOI: 10.7270/Q2668GXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50051910
((R)-4-Amino-5-(4-{[(2,4-diamino-pyrido[2,3-d]pyrim...)Show SMILES CN(Cc1ccc(cc1)C(=O)NC(=O)[C@H](N)CCC(O)=O)c1cnc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C21H24N8O4/c1-29(13-8-14-17(23)26-21(24)27-18(14)25-9-13)10-11-2-4-12(5-3-11)19(32)28-20(33)15(22)6-7-16(30)31/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,30,31)(H,28,32,33)(H4,23,24,25,26,27)/t15-/m1/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid) |
J Med Chem 39: 1438-46 (1996)
Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50051922
((R)-4-Amino-5-{4-[(2,4-diamino-pyrido[2,3-d]pyrimi...)Show SMILES N[C@H](CCC(O)=O)C(=O)NC(=O)c1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1 Show InChI InChI=1S/C20H22N8O4/c21-14(5-6-15(29)30)19(32)28-18(31)11-3-1-10(2-4-11)8-24-12-7-13-16(22)26-20(23)27-17(13)25-9-12/h1-4,7,9,14,24H,5-6,8,21H2,(H,29,30)(H,28,31,32)(H4,22,23,25,26,27)/t14-/m1/s1 | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid) |
J Med Chem 39: 1438-46 (1996)
Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066496
(CHEMBL115804 | N*6*-(2,4-Dimethoxy-benzyl)-N*6*-me...)Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-4-6-13(24-2)9-16(11)25-3)12-5-7-15-14(8-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Compound was evaluated as inhibitor of Escherichia coli Dihydrofolate reductase |
J Med Chem 46: 591-600 (2003)
Article DOI: 10.1021/jm0203534
BindingDB Entry DOI: 10.7270/Q2JQ11RG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50405965
(CHEMBL287241)Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-8(5-11(6-10)19-2)3-9-7-16-13(15)17-12(9)14/h4-7H,3H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60612
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. |
J Med Chem 39: 4825-32 (1996)
Article DOI: 10.1021/jm960491r
BindingDB Entry DOI: 10.7270/Q2668GXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase |
J Med Chem 45: 5173-81 (2002)
BindingDB Entry DOI: 10.7270/Q2805398 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18224
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description
In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase. |
J Med Chem 45: 233-41 (2001)
BindingDB Entry DOI: 10.7270/Q2SX6CJ2 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50405982
(CHEMBL56602)Show InChI InChI=1S/C13H16N4/c1-8-3-9(2)5-10(4-8)6-11-7-16-13(15)17-12(11)14/h3-5,7H,6H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60612
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. |
J Med Chem 39: 4825-32 (1996)
Article DOI: 10.1021/jm960491r
BindingDB Entry DOI: 10.7270/Q2668GXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | 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) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase. |
J Med Chem 45: 233-41 (2001)
BindingDB Entry DOI: 10.7270/Q2SX6CJ2 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
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 |
University of Illinois at Chicago 60612
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. |
J Med Chem 39: 4825-32 (1996)
Article DOI: 10.1021/jm960491r
BindingDB Entry DOI: 10.7270/Q2668GXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50138701
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition against dihydrofolate reductase enzyme of Escherichia coli |
J Med Chem 23: 535-41 (1980)
BindingDB Entry DOI: 10.7270/Q2TX3GJG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50130955
(3-amino-1-{[4-({[[(aminocarbonothioyl)amino](imini...)Show SMILES Cc1cc(CNC(=[NH2+])CC(N)=S)c(C)cc1CNC(=N)NC(N)=[SH+] Show InChI InChI=1S/C15H23N7S2/c1-8-4-11(7-21-14(18)22-15(19)24)9(2)3-10(8)6-20-12(16)5-13(17)23/h3-4H,5-7H2,1-2H3,(H2,16,20)(H2,17,23)(H5,18,19,21,22,24)/p+2 | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50051915
(CHEMBL32708 | N*6*-(2,5-Dimethoxy-benzyl)-pyrido[2...)Show InChI InChI=1S/C16H18N6O2/c1-23-11-3-4-13(24-2)9(5-11)7-19-10-6-12-14(17)21-16(18)22-15(12)20-8-10/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid) |
J Med Chem 39: 1438-46 (1996)
Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066488
(CHEMBL114833 | N*6*-(2,4,5-Trimethoxy-benzyl)-quin...)Show InChI InChI=1S/C18H21N5O3/c1-24-14-8-16(26-3)15(25-2)6-10(14)9-21-11-4-5-13-12(7-11)17(19)23-18(20)22-13/h4-8,21H,9H2,1-3H3,(H4,19,20,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50051913
(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid) |
J Med Chem 39: 1438-46 (1996)
Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066489
(CHEMBL114839 | N*6*-(5,6,7,8-Tetrahydro-naphthalen...)Show InChI InChI=1S/C19H21N5/c20-18-16-10-14(8-9-17(16)23-19(21)24-18)22-11-13-6-3-5-12-4-1-2-7-15(12)13/h3,5-6,8-10,22H,1-2,4,7,11H2,(H4,20,21,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50058401
(2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1 Show InChI InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+ | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase. |
J Med Chem 45: 233-41 (2001)
BindingDB Entry DOI: 10.7270/Q2SX6CJ2 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50252968
(CHEMBL522363 | N-{4-[(2-Amino-6-methyl-4-oxo-3,4-d...)Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N(CCC(O)=O)C(O)=O Show InChI InChI=1S/C18H16N4O6S2/c1-8-13(12-14(25)20-17(19)21-15(12)29-8)30-10-4-2-9(3-5-10)16(26)22(18(27)28)7-6-11(23)24/h2-5H,6-7H2,1H3,(H,23,24)(H,27,28)(H3,19,20,21,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR |
J Med Chem 51: 5789-97 (2008)
Article DOI: 10.1021/jm8006933
BindingDB Entry DOI: 10.7270/Q2FF3T7B |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066492
(CHEMBL113999 | GNF-Pf-607 | N*6*-(3,4,5-Trimethoxy...)Show InChI InChI=1S/C18H21N5O3/c1-24-14-6-10(7-15(25-2)16(14)26-3)9-21-11-4-5-13-12(8-11)17(19)23-18(20)22-13/h4-8,21H,9H2,1-3H3,(H4,19,20,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50108176
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)Show InChI InChI=1S/C16H20N4O4/c1-23-13-5-4-12(24-6-2-3-14(21)22)8-10(13)7-11-9-19-16(18)20-15(11)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,21,22)(H4,17,18,19,20) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase. |
J Med Chem 45: 233-41 (2001)
BindingDB Entry DOI: 10.7270/Q2SX6CJ2 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50404463
(CHEMBL339058)Show InChI InChI=1S/C14H18N4O3/c1-7-9(13(15)18-14(16)17-7)4-8-5-10(20-2)12(19)11(6-8)21-3/h5-6,19H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition against dihydrofolate reductase enzyme of Escherichia coli |
J Med Chem 23: 535-41 (1980)
BindingDB Entry DOI: 10.7270/Q2TX3GJG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50404463
(CHEMBL339058)Show InChI InChI=1S/C14H18N4O3/c1-7-9(13(15)18-14(16)17-7)4-8-5-10(20-2)12(19)11(6-8)21-3/h5-6,19H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago 60612
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. |
J Med Chem 39: 4825-32 (1996)
Article DOI: 10.1021/jm960491r
BindingDB Entry DOI: 10.7270/Q2668GXG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50130955
(3-amino-1-{[4-({[[(aminocarbonothioyl)amino](imini...)Show SMILES Cc1cc(CNC(=[NH2+])CC(N)=S)c(C)cc1CNC(=N)NC(N)=[SH+] Show InChI InChI=1S/C15H23N7S2/c1-8-4-11(7-21-14(18)22-15(19)24)9(2)3-10(8)6-20-12(16)5-13(17)23/h3-4H,5-7H2,1-2H3,(H2,16,20)(H2,17,23)(H5,18,19,21,22,24)/p+2 | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18046
(5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, ...)Show InChI InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50130950
(5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...)Show InChI InChI=1S/C14H11ClN4S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50130951
(CHEMBL85364 | N-(4-chloro-2-cyanophenyl)imidodicar...)Show InChI InChI=1S/C9H9ClN6/c10-6-1-2-7(5(3-6)4-11)15-9(14)16-8(12)13/h1-3H,(H6,12,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50130950
(5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...)Show InChI InChI=1S/C14H11ClN4S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description
Inhibition constant against Dihydrofolate reductase |
Bioorg Med Chem Lett 13: 2493-6 (2003)
BindingDB Entry DOI: 10.7270/Q2CN74G5 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50066493
(CHEMBL116200 | N*6*-(2,4-Dimethoxy-benzyl)-quinazo...)Show InChI InChI=1S/C17H19N5O2/c1-23-12-5-3-10(15(8-12)24-2)9-20-11-4-6-14-13(7-11)16(18)22-17(19)21-14/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR) |
J Med Chem 41: 3426-34 (1998)
Article DOI: 10.1021/jm980081y
BindingDB Entry DOI: 10.7270/Q27H1HQZ |
More data for this
Ligand-Target Pair | |
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