Found 49 hits with Last Name = 'champness' and Initial = 'jn' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Dihydrofolate reductase
(Escherichia coli) | 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
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026300
(6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-26-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(17(14)27-2)28-7-5-3-4-6-16(24)25/h9-11H,3-8H2,1-2H3,(H,24,25)(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026300
(6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-26-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(17(14)27-2)28-7-5-3-4-6-16(24)25/h9-11H,3-8H2,1-2H3,(H,24,25)(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026308
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C17H22N4O5/c1-24-12-7-10(6-11-9-20-17(19)21-16(11)18)8-13(15(12)25-2)26-5-3-4-14(22)23/h7-9H,3-6H2,1-2H3,(H,22,23)(H4,18,19,20,21) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026308
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C17H22N4O5/c1-24-12-7-10(6-11-9-20-17(19)21-16(11)18)8-13(15(12)25-2)26-5-3-4-14(22)23/h7-9H,3-6H2,1-2H3,(H,22,23)(H4,18,19,20,21) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026318
(7-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C20H28N4O5/c1-27-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(18(15)28-2)29-8-6-4-3-5-7-17(25)26/h10-12H,3-9H2,1-2H3,(H,25,26)(H4,21,22,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026318
(7-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C20H28N4O5/c1-27-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(18(15)28-2)29-8-6-4-3-5-7-17(25)26/h10-12H,3-9H2,1-2H3,(H,25,26)(H4,21,22,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026314
(5-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C18H24N4O5/c1-25-13-8-11(7-12-10-21-18(20)22-17(12)19)9-14(16(13)26-2)27-6-4-3-5-15(23)24/h8-10H,3-7H2,1-2H3,(H,23,24)(H4,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026314
(5-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C18H24N4O5/c1-25-13-8-11(7-12-10-21-18(20)22-17(12)19)9-14(16(13)26-2)27-6-4-3-5-15(23)24/h8-10H,3-7H2,1-2H3,(H,23,24)(H4,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026307
(3-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C16H20N4O5/c1-23-11-6-9(5-10-8-19-16(18)20-15(10)17)7-12(14(11)24-2)25-4-3-13(21)22/h6-8H,3-5H2,1-2H3,(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
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026307
(3-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C16H20N4O5/c1-23-11-6-9(5-10-8-19-16(18)20-15(10)17)7-12(14(11)24-2)25-4-3-13(21)22/h6-8H,3-5H2,1-2H3,(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
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026317
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-4-27-16(24)6-5-7-28-15-10-12(9-14(25-2)17(15)26-3)8-13-11-22-19(21)23-18(13)20/h9-11H,4-8H2,1-3H3,(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026317
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-4-27-16(24)6-5-7-28-15-10-12(9-14(25-2)17(15)26-3)8-13-11-22-19(21)23-18(13)20/h9-11H,4-8H2,1-3H3,(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026316
(5-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-25-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(17(14)27-3)28-7-5-4-6-16(24)26-2/h9-11H,4-8H2,1-3H3,(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026316
(5-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-25-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(17(14)27-3)28-7-5-4-6-16(24)26-2/h9-11H,4-8H2,1-3H3,(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026306
(6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C20H28N4O5/c1-26-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(18(15)28-3)29-8-6-4-5-7-17(25)27-2/h10-12H,4-9H2,1-3H3,(H4,21,22,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026306
(6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show InChI InChI=1S/C20H28N4O5/c1-26-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(18(15)28-3)29-8-6-4-5-7-17(25)27-2/h10-12H,4-9H2,1-3H3,(H4,21,22,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase Inhibitor of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
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
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
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
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026304
(7-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show SMILES COC(=O)CCCCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C21H30N4O5/c1-27-16-11-14(10-15-13-24-21(23)25-20(15)22)12-17(19(16)29-3)30-9-7-5-4-6-8-18(26)28-2/h11-13H,4-10H2,1-3H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026304
(7-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)Show SMILES COC(=O)CCCCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C21H30N4O5/c1-27-16-11-14(10-15-13-24-21(23)25-20(15)22)12-17(19(16)29-3)30-9-7-5-4-6-8-18(26)28-2/h11-13H,4-10H2,1-3H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026313
(5-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...)Show InChI InChI=1S/C18H24N4O5/c1-25-13-8-11(7-12-10-21-18(20)22-17(12)19)9-14(26-2)16(13)27-6-4-3-5-15(23)24/h8-10H,3-7H2,1-2H3,(H,23,24)(H4,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026309
(4-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-4-27-16(24)6-5-7-28-17-14(25-2)9-12(10-15(17)26-3)8-13-11-22-19(21)23-18(13)20/h9-11H,4-8H2,1-3H3,(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026302
(CHEMBL14201 | [5-(2,4-Diamino-pyrimidin-5-ylmethyl...)Show InChI InChI=1S/C15H18N4O5/c1-22-10-4-8(3-9-6-18-15(17)19-14(9)16)5-11(13(10)23-2)24-7-12(20)21/h4-6H,3,7H2,1-2H3,(H,20,21)(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
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026302
(CHEMBL14201 | [5-(2,4-Diamino-pyrimidin-5-ylmethyl...)Show InChI InChI=1S/C15H18N4O5/c1-22-10-4-8(3-9-6-18-15(17)19-14(9)16)5-11(13(10)23-2)24-7-12(20)21/h4-6H,3,7H2,1-2H3,(H,20,21)(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
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026305
(CHEMBL322001 | [4-(2,4-Diamino-pyrimidin-5-ylmethy...)Show InChI InChI=1S/C17H22N4O5/c1-4-25-14(22)9-26-15-12(23-2)6-10(7-13(15)24-3)5-11-8-20-17(19)21-16(11)18/h6-8H,4-5,9H2,1-3H3,(H4,18,19,20,21) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026310
(6-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-26-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(27-2)17(14)28-7-5-3-4-6-16(24)25/h9-11H,3-8H2,1-2H3,(H,24,25)(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026301
(5-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...)Show InChI InChI=1S/C19H26N4O5/c1-25-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(26-2)17(14)28-7-5-4-6-16(24)27-3/h9-11H,4-8H2,1-3H3,(H4,20,21,22,23) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026311
(4-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...)Show InChI InChI=1S/C17H22N4O5/c1-24-12-7-10(6-11-9-20-17(19)21-16(11)18)8-13(25-2)15(12)26-5-3-4-14(22)23/h7-9H,3-6H2,1-2H3,(H,22,23)(H4,18,19,20,21) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Relative Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50367239
(CHEMBL318078)Show InChI InChI=1S/C20H28N4O5/c1-26-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(27-2)18(15)29-8-6-4-5-7-17(25)28-3/h10-12H,4-9H2,1-3H3,(H4,21,22,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026315
(CHEMBL266611 | [5-(2,4-Diamino-pyrimidin-5-ylmethy...)Show InChI InChI=1S/C16H20N4O5/c1-22-11-5-9(4-10-7-19-16(18)20-15(10)17)6-12(14(11)24-3)25-8-13(21)23-2/h5-7H,4,8H2,1-3H3,(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
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for E. coli Dihydrofolate reductase |
J Med Chem 25: 1120-2 (1983)
BindingDB Entry DOI: 10.7270/Q28G8JRF |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50026315
(CHEMBL266611 | [5-(2,4-Diamino-pyrimidin-5-ylmethy...)Show InChI InChI=1S/C16H20N4O5/c1-22-11-5-9(4-10-7-19-16(18)20-15(10)17)6-12(14(11)24-3)25-8-13(21)23-2/h5-7H,4,8H2,1-3H3,(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
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase Inhibitor of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50367240
(CHEMBL104675)Show InChI InChI=1S/C15H18N4O5/c1-22-10-4-8(3-9-6-18-15(17)19-14(9)16)5-11(23-2)13(10)24-7-12(20)21/h4-6H,3,7H2,1-2H3,(H,20,21)(H4,16,17,18,19) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of Escherichia coli |
J Med Chem 28: 303-11 (1985)
BindingDB Entry DOI: 10.7270/Q2J966Z0 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50042445
(6-Methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahy...)Show SMILES COc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(O)=O Show InChI InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(19)20)15(17)8-6-12-5-7-13(21-3)11-14(12)17/h5,7,11,15H,4,6,8-10H2,1-3H3,(H,19,20)/t15-,17-,18?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50231343
(CHEMBL119038)Show SMILES [H][C@@]12CCc3cc(CO)c(OC)cc3[C@@]1(C)CCC[C@@]2(C)C(O)=O Show InChI InChI=1S/C19H26O4/c1-18-7-4-8-19(2,17(21)22)16(18)6-5-12-9-13(11-20)15(23-3)10-14(12)18/h9-10,16,20H,4-8,11H2,1-3H3,(H,21,22)/t16-,18-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50042454
(7-Formyl-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1cc(C=O)c(O)cc21)C(O)=O Show InChI InChI=1S/C18H22O4/c1-17-6-3-7-18(2,16(21)22)15(17)5-4-11-8-12(10-19)14(20)9-13(11)17/h8-10,15,20H,3-7H2,1-2H3,(H,21,22)/t15-,17-,18?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50042449
((2R,4aS)1,7-Bis-hydroxymethyl-1,4a-dimethyl-1,2,3,...)Show SMILES CC1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21 Show InChI InChI=1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16-,17-,18?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50042459
(1-Hydroxymethyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-...)Show SMILES CC1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C17H24O3/c1-16-8-7-15(20)17(2,10-18)14(16)6-4-11-3-5-12(19)9-13(11)16/h3,5,9,14-15,18-20H,4,6-8,10H2,1-2H3/t14-,15-,16-,17?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50042447
((2S,4aS)1,7-Bis-hydroxymethyl-1,4a-dimethyl-1,2,3,...)Show SMILES CC1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21 Show InChI InChI=1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16+,17-,18?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50042444
(6-Methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahy...)Show InChI InChI=1S/C17H25NO/c1-16-9-4-10-17(2,18)15(16)8-6-12-5-7-13(19-3)11-14(12)16/h5,7,11,15H,4,6,8-10,18H2,1-3H3/t15-,16-,17?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50090910
(3alpha,16,17,18-tetrahydroxyaphidicolone | 6,13-di...)Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO |r| Show InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50042456
((8-Hydroxymethyl-3-methoxy-4b,8-dimethyl-4b,5,6,7,...)Show InChI InChI=1S/C19H28O3/c1-18(12-21)7-4-8-19(2)15-10-16(22-3)14(11-20)9-13(15)5-6-17(18)19/h9-10,17,20-21H,4-8,11-12H2,1-3H3/t17-,18?,19+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50231384
(CHEMBL331025)Show SMILES [H][C@@]12CCc3cc(CO)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C(O)=O Show InChI InChI=1S/C18H24O4/c1-17-6-3-7-18(2,16(21)22)15(17)5-4-11-8-12(10-19)14(20)9-13(11)17/h8-9,15,19-20H,3-7,10H2,1-2H3,(H,21,22)/t15-,17-,18-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50231345
(CHEMBL118970)Show SMILES [H][C@@]12CCc3cc(CO)c(O)cc3[C@@]1(C)CCC[C@@]2(C)CO Show InChI InChI=1S/C18H26O3/c1-17(11-20)6-3-7-18(2)14-9-15(21)13(10-19)8-12(14)4-5-16(17)18/h8-9,16,19-21H,3-7,10-11H2,1-2H3/t16-,17-,18+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50231383
(CHEMBL334229)Show SMILES [H][C@]1(O)CC[C@]2(C)c3cc(O)ccc3CC[C@@]2([H])[C@]1(C)CO Show InChI InChI=1S/C17H24O3/c1-16-8-7-15(20)17(2,10-18)14(16)6-4-11-3-5-12(19)9-13(11)16/h3,5,9,14-15,18-20H,4,6-8,10H2,1-2H3/t14-,15+,16-,17+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50231386
(CHEMBL331553)Show SMILES [H][C@@]12CCc3cc(CO)c(OC)cc3[C@@]1(C)CCC[C@@]2(C)C(=O)OC Show InChI InChI=1S/C20H28O4/c1-19-8-5-9-20(2,18(22)24-4)17(19)7-6-13-10-14(12-21)16(23-3)11-15(13)19/h10-11,17,21H,5-9,12H2,1-4H3/t17-,19-,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50231388
(CHEMBL119211)Show SMILES [H][C@@]1(O)CC[C@]2(C)c3cc(OC)ccc3CC[C@@]2([H])[C@]1(C)CO Show InChI InChI=1S/C18H26O3/c1-17-9-8-16(20)18(2,11-19)15(17)7-5-12-4-6-13(21-3)10-14(12)17/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3/t15-,16-,17-,18+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50231344
(CHEMBL334214)Show SMILES [H][C@]1(O)CC[C@]2(C)c3cc(OC)ccc3CC[C@@]2([H])[C@]1(C)CO Show InChI InChI=1S/C18H26O3/c1-17-9-8-16(20)18(2,11-19)15(17)7-5-12-4-6-13(21-3)10-14(12)17/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3/t15-,16+,17-,18+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50042448
(7-Formyl-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)Show SMILES COC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1cc(C=O)c(OC)cc21 Show InChI InChI=1S/C20H26O4/c1-19-8-5-9-20(2,18(22)24-4)17(19)7-6-13-10-14(12-21)16(23-3)11-15(13)19/h10-12,17H,5-9H2,1-4H3/t17-,19-,20?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Effective concentration against DNA polymerase alpha |
J Med Chem 36: 3503-10 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2PXP |
More data for this
Ligand-Target Pair | |
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