BDBM18045 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE::5-(phenylsulfanyl)quinazoline-2,4-diamine::GW997
SMILES: Nc1nc(N)c2c(Sc3ccccc3)cccc2n1
InChI Key: InChIKey=BUFDQCGCADQQQY-UHFFFAOYSA-N
Data: 4 IC50
PDB links: 1 PDB ID matches this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to 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 (DHFR) (Candida albicans) | BDBM18045 (5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE | 5-(phe...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 34 | 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 (Homo sapiens (Human)) | BDBM18045 (5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE | 5-(phe...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 620 | 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 (DHFR) (Candida albicans) | BDBM18045 (5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE | 5-(phe...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB PubMed | n/a | n/a | 34 | 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)) | BDBM18045 (5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE | 5-(phe...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 620 | 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 |