null
SMILES: Nc1nc(N)c2c(Sc3ccc(cc3)N3CCOCC3)cccc2n1
InChI Key: InChIKey=CZLWCJRHDBTCGQ-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Candida albicans) | BDBM18048 (5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOL...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | 6.4 | 30 |
GSK | Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh... | J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Candida albicans) | BDBM18048 (5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOL...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro). | J Med Chem 38: 3608-16 (1995) BindingDB Entry DOI: 10.7270/Q2V69KS6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM18048 (5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOL...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company Curated by ChEMBL | Assay Description In vitro inhibition of human dihydrofolate reductase | J Med Chem 38: 3608-16 (1995) BindingDB Entry DOI: 10.7270/Q2V69KS6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM18048 (5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOL...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | 7.0 | 30 |
GSK | Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh... | J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K | |||||||||||
More data for this Ligand-Target Pair |