Found 118 hits of kd for UniProtKB: P0DTD1 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 |
|---|
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612854
(CHEMBL5270591) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| UniChem
| | n/a | n/a | n/a | >1.10 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612852
(CHEMBL5281857) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | >2.10 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612856
(CHEMBL5287116) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | >2.10 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612858
(CHEMBL5276189) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | >8.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496864
(SARS-CoV-2 PLpro Inhibitor, 94)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CC[C@@H](O)C2)s1 Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22+,25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496842
(SARS-CoV-2 PLpro Inhibitor, 72)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCCC2)s1 Show InChI InChI=1S/C29H36N4OS/c1-19-10-11-24(33-25-16-30-17-25)15-27(19)29(34)32-20(2)21-6-5-7-22(14-21)28-13-12-26(35-28)18-31-23-8-3-4-9-23/h5-7,10-15,20,23,25,30-31,33H,3-4,8-9,16-18H2,1-2H3,(H,32,34)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496863
(SARS-CoV-2 PLpro Inhibitor, 93)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CC[C@@H](O)C2)s1 Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496865
(SARS-CoV-2 PLpro Inhibitor, 95)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CC[C@H](O)C2)s1 Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22+,25+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496862
(SARS-CoV-2 PLpro Inhibitor, 92)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CC[C@H](O)C2)s1 Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496843
(SARS-CoV-2 PLpro Inhibitor, 73)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCCC2)s1 Show InChI InChI=1S/C28H34N4OS/c1-19-8-9-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-6-5-7-22(14-21)27-11-10-25(34-27)18-32-12-3-4-13-32/h5-11,14-15,20,24,29,31H,3-4,12-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612860
(CHEMBL5287352) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 425 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496840
(SARS-CoV-2 PLpro Inhibitor, 70)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCN(C)CC2)s1 Show InChI InChI=1S/C30H39N5OS/c1-20-7-8-25(34-26-17-31-18-26)16-28(20)30(36)33-21(2)22-5-4-6-23(15-22)29-10-9-27(37-29)19-32-24-11-13-35(3)14-12-24/h4-10,15-16,21,24,26,31-32,34H,11-14,17-19H2,1-3H3,(H,33,36)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612859
(CHEMBL5291013) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 442 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496858
(SARS-CoV-2 PLpro Inhibitor, 88)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCC(O)C2)s1 Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22?,25?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 488 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612853
(CHEMBL5286815) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496861
(SARS-CoV-2 PLpro Inhibitor, 91)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CNC(=O)C2)s1 Show InChI InChI=1S/C28H33N5O2S/c1-17-6-7-21(33-23-13-29-14-23)11-25(17)28(35)32-18(2)19-4-3-5-20(10-19)26-9-8-24(36-26)16-30-22-12-27(34)31-15-22/h3-11,18,22-23,29-30,33H,12-16H2,1-2H3,(H,31,34)(H,32,35)/t18-,22?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496854
(SARS-CoV-2 PLpro Inhibitor, 84)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@H](O)C2)s1 Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(31-23-14-29-15-23)13-26(18)28(34)30-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)17-32-11-10-24(33)16-32/h3-9,12-13,19,23-24,29,31,33H,10-11,14-17H2,1-2H3,(H,30,34)/t19-,24+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 668 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496847
(SARS-CoV-2 PLpro Inhibitor, 77 | SARS-CoV-2 PLpro ...)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NC[C@H]1CCCO1 Show InChI InChI=1S/C29H34N4O3S/c1-18-8-9-22(33-23-15-30-16-23)14-25(18)28(34)32-19(2)20-5-3-6-21(13-20)26-10-11-27(37-26)29(35)31-17-24-7-4-12-36-24/h3,5-6,8-11,13-14,19,23-24,30,33H,4,7,12,15-17H2,1-2H3,(H,31,35)(H,32,34)/t19-,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 741 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496851
(SARS-CoV-2 PLpro Inhibitor, 81)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@@H](O)C2)s1 Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(31-23-14-29-15-23)13-26(18)28(34)30-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)17-32-11-10-24(33)16-32/h3-9,12-13,19,23-24,29,31,33H,10-11,14-17H2,1-2H3,(H,30,34)/t19-,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 761 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496852
(SARS-CoV-2 PLpro Inhibitor, 82)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@@H](C)C2)s1 Show InChI InChI=1S/C29H36N4OS/c1-19-11-12-33(17-19)18-26-9-10-28(35-26)23-6-4-5-22(13-23)21(3)31-29(34)27-14-24(8-7-20(27)2)32-25-15-30-16-25/h4-10,13-14,19,21,25,30,32H,11-12,15-18H2,1-3H3,(H,31,34)/t19-,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496841
(SARS-CoV-2 PLpro Inhibitor, 71)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNCC2CCNCC2)s1 Show InChI InChI=1S/C30H39N5OS/c1-20-6-7-25(35-26-17-33-18-26)15-28(20)30(36)34-21(2)23-4-3-5-24(14-23)29-9-8-27(37-29)19-32-16-22-10-12-31-13-11-22/h3-9,14-15,21-22,26,31-33,35H,10-13,16-19H2,1-2H3,(H,34,36)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 777 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496857
(SARS-CoV-2 PLpro Inhibitor, 87)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CCOC2)s1 Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496838
(SARS-CoV-2 PLpro Inhibitor, 68)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCNCC2)s1 Show InChI InChI=1S/C28H35N5OS/c1-19-6-7-23(32-24-16-30-17-24)15-26(19)28(34)31-20(2)21-4-3-5-22(14-21)27-9-8-25(35-27)18-33-12-10-29-11-13-33/h3-9,14-15,20,24,29-30,32H,10-13,16-18H2,1-2H3,(H,31,34)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 846 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496835
(SARS-CoV-2 PLpro Inhibitor, 65)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1cccs1 Show InChI InChI=1S/C23H25N3OS/c1-15-8-9-19(26-20-13-24-14-20)12-21(15)23(27)25-16(2)17-5-3-6-18(11-17)22-7-4-10-28-22/h3-12,16,20,24,26H,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 963 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496849
(SARS-CoV-2 PLpro Inhibitor, 79)Show SMILES CNC(=O)c1ccc(s1)-c1cccc(c1)[C@@H](C)NC(=O)c1cc(NC2CNC2)ccc1C Show InChI InChI=1S/C25H28N4O2S/c1-15-7-8-19(29-20-13-27-14-20)12-21(15)24(30)28-16(2)17-5-4-6-18(11-17)22-9-10-23(32-22)25(31)26-3/h4-12,16,20,27,29H,13-14H2,1-3H3,(H,26,31)(H,28,30)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496476
(SARS-CoV-2 PLpro Inhibitor, 5)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc2ccccc12 Show InChI InChI=1S/C23H25N3O/c1-15-10-11-18(26-19-13-24-14-19)12-22(15)23(27)25-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,19,24,26H,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496856
(SARS-CoV-2 PLpro Inhibitor, 86)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CCOC2)s1 Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496844
(SARS-CoV-2 PLpro Inhibitor, 74)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(C)s1 Show InChI InChI=1S/C24H27N3OS/c1-15-7-9-20(27-21-13-25-14-21)12-22(15)24(28)26-17(3)18-5-4-6-19(11-18)23-10-8-16(2)29-23/h4-12,17,21,25,27H,13-14H2,1-3H3,(H,26,28)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612860
(CHEMBL5287352) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50084655
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50612853
(CHEMBL5286815) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496555
(SARS-CoV-2 PLpro Inhibitor, 9)Show SMILES C[C@@H](NC(=O)c1cc(NC2CCN(C)CC2)ccc1C)c1cccc2ccccc12 Show InChI InChI=1S/C26H31N3O/c1-18-11-12-22(28-21-13-15-29(3)16-14-21)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496860
(SARS-CoV-2 PLpro Inhibitor, 90)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCNC2=O)s1 Show InChI InChI=1S/C28H33N5O2S/c1-17-6-7-21(33-22-14-29-15-22)13-24(17)27(34)32-18(2)19-4-3-5-20(12-19)26-9-8-23(36-26)16-31-25-10-11-30-28(25)35/h3-9,12-13,18,22,25,29,31,33H,10-11,14-16H2,1-2H3,(H,30,35)(H,32,34)/t18-,25?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496836
(SARS-CoV-2 PLpro Inhibitor, 66)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccsc1 Show InChI InChI=1S/C23H25N3OS/c1-15-6-7-20(26-21-12-24-13-21)11-22(15)23(27)25-16(2)17-4-3-5-18(10-17)19-8-9-28-14-19/h3-11,14,16,21,24,26H,12-13H2,1-2H3,(H,25,27)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496850
(SARS-CoV-2 PLpro Inhibitor, 80)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NCC1CCO1 Show InChI InChI=1S/C28H32N4O3S/c1-17-6-7-21(32-22-14-29-15-22)13-24(17)27(33)31-18(2)19-4-3-5-20(12-19)25-8-9-26(36-25)28(34)30-16-23-10-11-35-23/h3-9,12-13,18,22-23,29,32H,10-11,14-16H2,1-2H3,(H,30,34)(H,31,33)/t18-,23?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496839
(SARS-CoV-2 PLpro Inhibitor, 69)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCOCC2)s1 Show InChI InChI=1S/C28H34N4O2S/c1-19-6-7-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-4-3-5-22(14-21)27-9-8-25(35-27)18-32-10-12-34-13-11-32/h3-9,14-15,20,24,29,31H,10-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496847
(SARS-CoV-2 PLpro Inhibitor, 77 | SARS-CoV-2 PLpro ...)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NC[C@H]1CCCO1 Show InChI InChI=1S/C29H34N4O3S/c1-18-8-9-22(33-23-15-30-16-23)14-25(18)28(34)32-19(2)20-5-3-6-21(13-20)26-10-11-27(37-26)29(35)31-17-24-7-4-12-36-24/h3,5-6,8-11,13-14,19,23-24,30,33H,4,7,12,15-17H2,1-2H3,(H,31,35)(H,32,34)/t19-,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.79E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496853
(SARS-CoV-2 PLpro Inhibitor, 83)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCC2)s1 Show InChI InChI=1S/C27H32N4OS/c1-18-7-8-22(30-23-15-28-16-23)14-25(18)27(32)29-19(2)20-5-3-6-21(13-20)26-10-9-24(33-26)17-31-11-4-12-31/h3,5-10,13-14,19,23,28,30H,4,11-12,15-17H2,1-2H3,(H,29,32)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.79E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496522
(SARS-CoV-2 PLpro Inhibitor, 6)Show SMILES C[C@@H](NC(=O)c1cc(NC2CCNCC2)ccc1C)c1cccc2ccccc12 Show InChI InChI=1S/C25H29N3O/c1-17-10-11-21(28-20-12-14-26-15-13-20)16-24(17)25(29)27-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,26,28H,12-15H2,1-2H3,(H,27,29)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496870
(SARS-CoV-2 PLpro Inhibitor, 100)Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CC[C@@H](O)C2)s1 Show InChI InChI=1S/C28H33N3O3S/c1-17-7-8-23(31-19(3)32)15-26(17)28(34)30-18(2)20-5-4-6-21(13-20)27-12-11-25(35-27)16-29-22-9-10-24(33)14-22/h4-8,11-13,15,18,22,24,29,33H,9-10,14,16H2,1-3H3,(H,30,34)(H,31,32)/t18-,22+,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.88E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496768
(SARS-CoV-2 PLpro Inhibitor, 20)Show InChI InChI=1S/C19H17ClN2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)17-11-14(21)9-10-18(17)20/h2-12H,21H2,1H3,(H,22,23)/t12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496845
(SARS-CoV-2 PLpro Inhibitor, 75)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(O)=O Show InChI InChI=1S/C24H25N3O3S/c1-14-6-7-18(27-19-12-25-13-19)11-20(14)23(28)26-15(2)16-4-3-5-17(10-16)21-8-9-22(31-21)24(29)30/h3-11,15,19,25,27H,12-13H2,1-2H3,(H,26,28)(H,29,30)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496867
(SARS-CoV-2 PLpro Inhibitor, 97)Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc(c1)-c1ccc(CN)s1 Show InChI InChI=1S/C21H23N3OS/c1-13-6-7-17(23)11-19(13)21(25)24-14(2)15-4-3-5-16(10-15)20-9-8-18(12-22)26-20/h3-11,14H,12,22-23H2,1-2H3,(H,24,25)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496846
(SARS-CoV-2 PLpro Inhibitor, 76)Show SMILES COC(=O)c1ccc(s1)-c1cccc(c1)[C@@H](C)NC(=O)c1cc(NC2CNC2)ccc1C Show InChI InChI=1S/C25H27N3O3S/c1-15-7-8-19(28-20-13-26-14-20)12-21(15)24(29)27-16(2)17-5-4-6-18(11-17)22-9-10-23(32-22)25(30)31-3/h4-12,16,20,26,28H,13-14H2,1-3H3,(H,27,29)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496868
(SARS-CoV-2 PLpro Inhibitor, 98)Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc(c1)-c1ccc(CNC(=O)C2CCCC2)s1 Show InChI InChI=1S/C27H31N3O2S/c1-17-10-11-22(28)15-24(17)27(32)30-18(2)20-8-5-9-21(14-20)25-13-12-23(33-25)16-29-26(31)19-6-3-4-7-19/h5,8-15,18-19H,3-4,6-7,16,28H2,1-2H3,(H,29,31)(H,30,32)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50590424
(CHEMBL5191209)Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cc(F)cc(NC(=O)N2CCN(C)CC2)c1)c1cccc2ccccc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| |
Bioorg Med Chem Lett 15: 5211-7 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00303
BindingDB Entry DOI: 10.7270/Q2H70KWC |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM31524
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496585
(SARS-CoV-2 PLpro Inhibitor, 12)Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2ccccc12 Show InChI InChI=1S/C24H27N3O/c1-16-11-12-19(27(3)20-14-25-15-20)13-23(16)24(28)26-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,25H,14-15H2,1-3H3,(H,26,28)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496837
(SARS-CoV-2 PLpro Inhibitor, 67)Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1cc[nH]c1 Show InChI InChI=1S/C23H26N4O/c1-15-6-7-20(27-21-13-25-14-21)11-22(15)23(28)26-16(2)17-4-3-5-18(10-17)19-8-9-24-12-19/h3-12,16,21,24-25,27H,13-14H2,1-2H3,(H,26,28)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496553
(SARS-CoV-2 PLpro Inhibitor, 7)Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CNC2)ccc1C)c1cccc2ccccc12 Show InChI InChI=1S/C24H25N3O2/c1-15-10-11-19(27-23(28)18-13-25-14-18)12-22(15)24(29)26-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,18,25H,13-14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo... |
J Med Chem (2021)
Article DOI: 10.1021/acs.jmedchem.1c01307
BindingDB Entry DOI: 10.7270/Q2H1354M |
More data for this
Ligand-Target Pair | |
Search and Browse
