Found 7 hits in this display 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
(Lactobacillus casei) | BDBM50291798
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) |
J Med Chem 24: 1422-9 (1981)
BindingDB Entry DOI: 10.7270/Q2VM4FF9 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50291798
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR) |
J Med Chem 27: 129-43 (1984)
BindingDB Entry DOI: 10.7270/Q2TT4S5M |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM50291798
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50291798
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Leishmania major |
J Med Chem 30: 1218-24 (1987)
Checked by Author
BindingDB Entry DOI: 10.7270/Q21V5FJ0 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291798
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291798
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(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
| 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uniroyal Chemical Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition constant against binding of Escherichia coli dihydrofolate reductase |
J Med Chem 31: 1396-406 (1988)
BindingDB Entry DOI: 10.7270/Q2P55QQJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50291798
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) |
J Med Chem 27: 129-43 (1984)
BindingDB Entry DOI: 10.7270/Q2TT4S5M |
More data for this
Ligand-Target Pair | |