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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV)) | BDBM33253 (phthalazine-based compound, 4) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.20E+3 | 4.60E+3 | n/a | n/a | n/a | 7.5 | 37 |
Novartis Institute for Tropical Diseases | Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min.... | Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV)) | BDBM33255 (phthalazine-based compound, 6) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.20E+3 | 7.00E+3 | n/a | n/a | n/a | 7.5 | 37 |
Novartis Institute for Tropical Diseases | Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min.... | Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV)) | BDBM33254 (phthalazine-based compound, 5) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.06E+4 | 1.00E+5 | n/a | n/a | n/a | 7.5 | 37 |
Novartis Institute for Tropical Diseases | Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min.... | Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV)) | BDBM33252 (phthalazine-based compound, 3) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.20E+4 | 9.00E+4 | n/a | n/a | n/a | 7.5 | 37 |
Novartis Institute for Tropical Diseases | Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min.... | Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV)) | BDBM33250 (phthalazine-based compound, 1) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.45E+4 | 2.10E+4 | n/a | n/a | n/a | 7.5 | 37 |
Novartis Institute for Tropical Diseases | Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min.... | Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (West Nile virus) | BDBM50468907 (CHEMBL549740) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a |
Charles University Prague Curated by ChEMBL | Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans | Bioorg Med Chem 18: 1434-40 (2010) Article DOI: 10.1016/j.bmc.2010.01.015 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein [1517-1688]/Mastoparan-2 [1420-1466] (West Nile virus (WNV)) | BDBM33247 (benzenecarboximidamide, 1) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | 7.5 | 25 |
University of Zurich | Assay Description Binding was also measured by a competition assay with a noncovalently bound inhibitor (Kd=4.6 uM) that quenched tryptophan fluorescence upon binding ... | J Med Chem 52: 4860-8 (2009) Article DOI: 10.1021/jm900448m BindingDB Entry DOI: 10.7270/Q20C4T4N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein [1517-1688]/Mastoparan-2 [1420-1466] (West Nile virus (WNV)) | BDBM33249 (4-nitrophenyl 4-carbamimidamidobenzoate, 2) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | 7.5 | 25 |
University of Zurich | Assay Description Binding was also measured by a competition assay with a noncovalently bound inhibitor (Kd=4.6 uM) that quenched tryptophan fluorescence upon binding ... | J Med Chem 52: 4860-8 (2009) Article DOI: 10.1021/jm900448m BindingDB Entry DOI: 10.7270/Q20C4T4N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (West Nile virus) | BDBM50468907 (CHEMBL549740) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich Curated by ChEMBL | Assay Description Binding affinity to West Nile virus NS3 protease by 15N-HSQC 1H NMR analysis | Eur J Med Chem 156: 907-917 (2018) Article DOI: 10.1016/j.ejmech.2018.07.042 BindingDB Entry DOI: 10.7270/Q26W9DRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (West Nile virus) | BDBM50542238 (CHEMBL4640778) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Australian National University Curated by ChEMBL | Assay Description Binding affinity to West Nile virus NS2B-NS3 protease | Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126965 BindingDB Entry DOI: 10.7270/Q27M0CGT | |||||||||||
More data for this Ligand-Target Pair |