Found 5 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) | BDBM50291789
(1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-3-5-12(9-14)11-25-15-8-4-6-13(19)10-15/h3-10H,11H2,1-2H3,(H4,20,21,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.40 | 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
(Pneumocystis carinii) | BDBM50291789
(1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-3-5-12(9-14)11-25-15-8-4-6-13(19)10-15/h3-10H,11H2,1-2H3,(H4,20,21,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 12.0 | 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 | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50291789
(1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-3-5-12(9-14)11-25-15-8-4-6-13(19)10-15/h3-10H,11H2,1-2H3,(H4,20,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 66 | 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 | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50291789
(1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-3-5-12(9-14)11-25-15-8-4-6-13(19)10-15/h3-10H,11H2,1-2H3,(H4,20,21,22,23) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 224 | 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) | BDBM50291789
(1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-3-5-12(9-14)11-25-15-8-4-6-13(19)10-15/h3-10H,11H2,1-2H3,(H4,20,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 977 | 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 | |