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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ORF1a (Middle East respiratory syndrome coronavirus (Viru...) | BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 7.60E+3 | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV)) | BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 1.15E+4 | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV)) | BDBM31524 (5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV)) | BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 980 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV)) | BDBM31530 (2-methyl-5-[(methylamino)methyl]-N-[(1R)-1-(naphth...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV)) | BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV)) | BDBM154574 (N-(2H-1,3-benzodioxol-5-ylmethyl)-1-[(1S)-1-(napht...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.26E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotase (Bacillus anthracis (Firmicute)) | BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotase (Bacillus anthracis (Firmicute)) | BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C Virus (Virus)) | BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C Virus (Virus)) | BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ORF1a (Middle East respiratory syndrome coronavirus (Viru...) | BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Illinois at Chicago | Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV)) | BDBM154575 (3-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-o...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 3.14E+4 | n/a | n/a | n/a | 7.4 | n/a |
University of Illinois at Chicago | Assay Description Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ORF1a (Middle East respiratory syndrome coronavirus (Viru...) | BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 1.84E+4 | n/a | n/a | n/a | 7.4 | n/a |
University of Illinois at Chicago | Assay Description Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV)) | BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.63E+4 | n/a | n/a | n/a | 7.4 | n/a |
University of Illinois at Chicago | Assay Description Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ORF1a (Middle East respiratory syndrome coronavirus (Viru...) | BDBM154575 (3-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-o...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 3.99E+4 | n/a | n/a | n/a | 7.4 | n/a |
University of Illinois at Chicago | Assay Description Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac... | ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426 | |||||||||||
More data for this Ligand-Target Pair |