Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50045624 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 |
Pteridine reductase 1
(Leishmania major) | BDBM50071576
(CHEMBL3410463)Show SMILES Nc1nc(N)c2cc(NCc3ccc(cc3)[N+]([O-])=O)ccc2n1 Show InChI InChI=1S/C15H14N6O2/c16-14-12-7-10(3-6-13(12)19-15(17)20-14)18-8-9-1-4-11(5-2-9)21(22)23/h1-7,18H,8H2,(H4,16,17,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major pteridine reductase 1 |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Pteridine reductase 1
(Leishmania major) | BDBM84608
(2,4-diamino-6-nitro-quinazoline, 1a)Show InChI InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major pteridine reductase 1 |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50404663
(CHEMBL6885 | QUINAZOLINE-2,4,6-TRIAMINE)Show InChI InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 8.40E+4 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major DHFR |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50071577
(CHEMBL174153)Show InChI InChI=1S/C15H15N5O/c16-14-12-7-10(3-6-13(12)19-15(17)20-14)18-8-9-1-4-11(21)5-2-9/h1-7,18,21H,8H2,(H4,16,17,19,20) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major DHFR |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50071578
(CHEMBL546890)Show InChI InChI=1S/C16H17N5O/c1-22-12-5-2-10(3-6-12)9-19-11-4-7-14-13(8-11)15(17)21-16(18)20-14/h2-8,19H,9H2,1H3,(H4,17,18,20,21) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major DHFR |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Pteridine reductase 1
(Leishmania major) | BDBM50404663
(CHEMBL6885 | QUINAZOLINE-2,4,6-TRIAMINE)Show InChI InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 5.88E+4 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major pteridine reductase 1 |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50071576
(CHEMBL3410463)Show SMILES Nc1nc(N)c2cc(NCc3ccc(cc3)[N+]([O-])=O)ccc2n1 Show InChI InChI=1S/C15H14N6O2/c16-14-12-7-10(3-6-13(12)19-15(17)20-14)18-8-9-1-4-11(5-2-9)21(22)23/h1-7,18H,8H2,(H4,16,17,19,20) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 241 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major DHFR |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM84608
(2,4-diamino-6-nitro-quinazoline, 1a)Show InChI InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major DHFR |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Pteridine reductase 1
(Leishmania major) | BDBM50071579
(CHEMBL3410464)Show SMILES Nc1nc(N)c2cc(NCCn3c(nc4cc(Cl)c(Cl)cc34)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C18H14Cl2F3N7/c19-10-6-13-14(7-11(10)20)30(16(27-13)18(21,22)23)4-3-26-8-1-2-12-9(5-8)15(24)29-17(25)28-12/h1-2,5-7,26H,3-4H2,(H4,24,25,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major pteridine reductase 1 |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Pteridine reductase 1
(Leishmania major) | BDBM50071578
(CHEMBL546890)Show InChI InChI=1S/C16H17N5O/c1-22-12-5-2-10(3-6-12)9-19-11-4-7-14-13(8-11)15(17)21-16(18)20-14/h2-8,19H,9H2,1H3,(H4,17,18,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.85E+3 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major pteridine reductase 1 |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Pteridine reductase 1
(Leishmania major) | BDBM50071577
(CHEMBL174153)Show InChI InChI=1S/C15H15N5O/c16-14-12-7-10(3-6-13(12)19-15(17)20-14)18-8-9-1-4-11(21)5-2-9/h1-7,18,21H,8H2,(H4,16,17,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major pteridine reductase 1 |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM50071579
(CHEMBL3410464)Show SMILES Nc1nc(N)c2cc(NCCn3c(nc4cc(Cl)c(Cl)cc34)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C18H14Cl2F3N7/c19-10-6-13-14(7-11(10)20)30(16(27-13)18(21,22)23)4-3-26-8-1-2-12-9(5-8)15(24)29-17(25)28-12/h1-2,5-7,26H,3-4H2,(H4,24,25,28,29) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 752 | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Binding affinity to Leishmania major DHFR |
Eur J Med Chem 92: 314-31 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91 |
More data for this Ligand-Target Pair | |