BDBM50130950 5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamine::5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine::5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine, 2d::CHEMBL310759
SMILES: Nc1nc(N)c2c(Sc3ccc(Cl)cc3)cccc2n1
InChI Key: InChIKey=AVRPDIOCAAWICH-UHFFFAOYSA-N
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) (Escherichia coli) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University | Assay Description Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). | Chem Biol 11: 1423-30 (2004) Article DOI: 10.1016/j.chembiol.2004.08.014 BindingDB Entry DOI: 10.7270/Q2639N6G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase | Bioorg Med Chem Lett 13: 2493-6 (2003) BindingDB Entry DOI: 10.7270/Q2CN74G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase | Bioorg Med Chem Lett 13: 2493-6 (2003) BindingDB Entry DOI: 10.7270/Q2CN74G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University Curated by ChEMBL | Assay Description Inhibition constant against Dihydrofolate reductase | Bioorg Med Chem Lett 13: 2493-6 (2003) BindingDB Entry DOI: 10.7270/Q2CN74G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University Curated by ChEMBL | Assay Description Inhibition constant against Dihydrofolate reductase | Bioorg Med Chem Lett 13: 2493-6 (2003) BindingDB Entry DOI: 10.7270/Q2CN74G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase | Bioorg Med Chem Lett 13: 2493-6 (2003) BindingDB Entry DOI: 10.7270/Q2CN74G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Candida albicans) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 30 | 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 | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Research and Development, LLC Curated by ChEMBL | Assay Description Binding affinity to DHFR (unknown origin) by NMR analysis | J Med Chem 57: 7819-37 (2014) Article DOI: 10.1021/jm500325k BindingDB Entry DOI: 10.7270/Q2JW8GH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductase | Bioorg Med Chem Lett 13: 2493-6 (2003) BindingDB Entry DOI: 10.7270/Q2CN74G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50130950 (5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 2.10E+3 | 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 |