Found 6 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
(Pneumocystis carinii) | BDBM50291806
(1-[3-(Adamantan-1-ylmethoxy)-phenyl]-6,6-dimethyl-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 |t:3,6,TLB:24:23:26:19.18.20,24:19:26:23.25.22,20:21:25:19.18.24,THB:20:19:25:21.26.22,22:21:18:23.25.24,22:23:18:21.26.20| Show InChI InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)17-4-3-5-18(9-17)28-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 17.0 | 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)) | BDBM50291806
(1-[3-(Adamantan-1-ylmethoxy)-phenyl]-6,6-dimethyl-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 |t:3,6,TLB:24:23:26:19.18.20,24:19:26:23.25.22,20:21:25:19.18.24,THB:20:19:25:21.26.22,22:21:18:23.25.24,22:23:18:21.26.20| Show InChI InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)17-4-3-5-18(9-17)28-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H4,23,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 741 | 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
(Homo sapiens (Human)) | BDBM50291806
(1-[3-(Adamantan-1-ylmethoxy)-phenyl]-6,6-dimethyl-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 |t:3,6,TLB:24:23:26:19.18.20,24:19:26:23.25.22,20:21:25:19.18.24,THB:20:19:25:21.26.22,22:21:18:23.25.24,22:23:18:21.26.20| Show InChI InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)17-4-3-5-18(9-17)28-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 776 | 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 human dihydrofolate reductase (DHFR) enzyme |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291806
(1-[3-(Adamantan-1-ylmethoxy)-phenyl]-6,6-dimethyl-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 |t:3,6,TLB:24:23:26:19.18.20,24:19:26:23.25.22,20:21:25:19.18.24,THB:20:19:25:21.26.22,22:21:18:23.25.24,22:23:18:21.26.20| Show InChI InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)17-4-3-5-18(9-17)28-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H4,23,24,25,26) | 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 | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50291806
(1-[3-(Adamantan-1-ylmethoxy)-phenyl]-6,6-dimethyl-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 |t:3,6,TLB:24:23:26:19.18.20,24:19:26:23.25.22,20:21:25:19.18.24,THB:20:19:25:21.26.22,22:21:18:23.25.24,22:23:18:21.26.20| Show InChI InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)17-4-3-5-18(9-17)28-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H4,23,24,25,26) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.09E+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
(Lactobacillus casei) | BDBM50291806
(1-[3-(Adamantan-1-ylmethoxy)-phenyl]-6,6-dimethyl-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 |t:3,6,TLB:24:23:26:19.18.20,24:19:26:23.25.22,20:21:25:19.18.24,THB:20:19:25:21.26.22,22:21:18:23.25.24,22:23:18:21.26.20| Show InChI InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)17-4-3-5-18(9-17)28-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H4,23,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.13E+3 | 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 | |