Found 565 hits of ec50 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) | BDBM448299
(MI-14)Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C23H27Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20+/m0/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 | n/a | 0.300 | n/a | n/a | n/a | n/a |
Sichuan University
| Assay Description
The differential scanning fluorimetry (DSF) assay was carried out on a CFX96 real-time PCR Detection System (Bio-Rad). All the experiments were perfo... |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448317
(MI-31)Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1Cl |r| Show InChI InChI=1S/C23H27Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-15,17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17+,21+/m0/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 | n/a | 0.400 | n/a | n/a | n/a | n/a |
Sichuan University
| Assay Description
The differential scanning fluorimetry (DSF) assay was carried out on a CFX96 real-time PCR Detection System (Bio-Rad). All the experiments were perfo... |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448316
(MI-30)Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c(Cl)c1 |r| Show InChI InChI=1S/C23H27Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17+,21+/m0/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 | n/a | 1.10 | n/a | n/a | n/a | n/a |
Sichuan University
| Assay Description
The differential scanning fluorimetry (DSF) assay was carried out on a CFX96 real-time PCR Detection System (Bio-Rad). All the experiments were perfo... |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448272
(MI-09)Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H28F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,11,13-14,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20+/m0/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 | n/a | 1.20 | n/a | n/a | n/a | n/a |
Sichuan University
| Assay Description
The differential scanning fluorimetry (DSF) assay was carried out on a CFX96 real-time PCR Detection System (Bio-Rad). All the experiments were perfo... |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448314
(MI-28)Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1 |r| Show InChI InChI=1S/C23H28ClN3O5/c24-16-4-6-18(7-5-16)32-13-20(29)27-11-15-2-1-3-19(15)21(27)23(31)26-17(12-28)10-14-8-9-25-22(14)30/h4-7,12,14-15,17,19,21H,1-3,8-11,13H2,(H,25,30)(H,26,31)/t14-,15-,17-,19+,21+/m0/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 | n/a | 2.20 | n/a | n/a | n/a | n/a |
Sichuan University
| Assay Description
The differential scanning fluorimetry (DSF) assay was carried out on a CFX96 real-time PCR Detection System (Bio-Rad). All the experiments were perfo... |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM525153
(Ac-QFR-kbt | N-0386 | US10988505, Example 3)Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |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 | n/a | 2.30 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se... |
Citation and Details
Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM525152
(Ms-QFR-kbt | N-0385 | US10988505, Example 2)Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |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 | n/a | 2.80 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se... |
Citation and Details
Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448297
(MI-12)Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H28ClN3O5/c1-23(2)17-10-27(18(29)12-32-16-5-3-14(24)4-6-16)20(19(17)23)22(31)26-15(11-28)9-13-7-8-25-21(13)30/h3-6,11,13,15,17,19-20H,7-10,12H2,1-2H3,(H,25,30)(H,26,31)/t13-,15-,17-,19-,20+/m0/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 | n/a | 7.30 | n/a | n/a | n/a | n/a |
Sichuan University
| Assay Description
The differential scanning fluorimetry (DSF) assay was carried out on a CFX96 real-time PCR Detection System (Bio-Rad). All the experiments were perfo... |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM648427
(US20240033256, Compound 2) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 9.10 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM648427
(US20240033256, Compound 2) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 10.8 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM510139
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)Show SMILES CC(C)(C)[C@H](NC(=O)COc1ccc(F)cc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2021250648
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2Z89GKW |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50031706
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se... |
Citation and Details
Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581847
(WO2022208262, Example 16)Show SMILES COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1cccc(Cl)c1)C2(C)C)C(C)(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581848
(WO2022208262, Example 17)Show SMILES COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1cccc(c1)C(F)(F)F)C2(C)C)C(C)(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM648427
(US20240033256, Compound 2) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 13.8 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM648427
(US20240033256, Compound 2) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 13.9 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581855
(WO2022208262, Example 28)Show SMILES CC(C)(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1cccc(Cl)c1)C2(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581851
(WO2022208262, Example 24)Show SMILES COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1ccc(F)cc1F)C2(C)C)C(C)(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM510140
(3-Methyl-N-[(4-methylphenyl)acetyl]-L-valyl-(4R)-N...)Show SMILES Cc1ccc(CC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C#N)C3(C)C)C(C)(C)C)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2021250648
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2Z89GKW |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420309
(MG-115)Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expres... |
bioRxiv (2020)
Article DOI: 10.1101/2020.07.17.207019
BindingDB Entry DOI: 10.7270/Q20G3NJM |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581839
(WO2022208262, Example 1 | WO2022208262, Example 35)Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1ccc(F)cc1F)C2(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581857
(WO2022208262, Example 30)Show SMILES COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1ccccc1)C2(C)C)C(C)(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50032698
(CHEMBL3354676 | N-0130)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se... |
Citation and Details
Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50592586
(CHEMBL4852855 | US11753373, Compound C-2-b)Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |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 | n/a | 30 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114570
BindingDB Entry DOI: 10.7270/Q2377DPJ |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448316
(MI-30)Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c(Cl)c1 |r| Show InChI InChI=1S/C23H27Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17+,21+/m0/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 | n/a | 31 | n/a | n/a | n/a | n/a |
Sichuan University
| |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM648428
(US20240033256, Compound 3) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM648428
(US20240033256, Compound 3) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 31.9 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM476929
(SARS-CoV-2 3CLpro Inhibitors 3a | SARS-CoV-2 3CLpr...)Show SMILES CC(C)C[C@H](NC(=O)OCC1CC2CCCC(C1)C2)C(=O)NC(CC1CCNC1=O)C(O)S([O-])(=O)=O |r,TLB:9:10:18:13.14.15| Show InChI InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/p-1/t15?,16?,17?,18?,19-,20?,23?/m0/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 | n/a | 32 | n/a | n/a | n/a | n/a |
Wichita State University
| Assay Description
Compounds 2a and 3a were investigated for their antiviral activity against the replication of SARS-CoV-2. Briefly, confluent Vero E6 cells were inocu... |
J Med Chem 64: 10047-10058 (2021)
Article DOI: 10.1021/acs.jmedchem.1c00319
BindingDB Entry DOI: 10.7270/Q2GF0XK7 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581850
(WO2022208262, Example 23)Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1cccc(c1)C(F)(F)F)C2(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448272
(MI-09)Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H28F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,11,13-14,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20+/m0/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 | n/a | 35 | n/a | n/a | n/a | n/a |
Sichuan University
| |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM476928
(SARS-CoV-2 3CLpro Inhibitors 2a | SARS-CoV-2 3CLpr...)Show SMILES CC(C)C[C@H](NC(=O)OCC1CC2CCCC(C1)C2)C(=O)NC(CC1CCNC1=O)C=O |r,TLB:9:10:18:13.14.15| Show InChI InChI=1S/C24H39N3O5/c1-15(2)8-21(23(30)26-20(13-28)12-19-6-7-25-22(19)29)27-24(31)32-14-18-10-16-4-3-5-17(9-16)11-18/h13,15-21H,3-12,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/t16?,17?,18?,19?,20?,21-/m0/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 | n/a | 35 | n/a | n/a | n/a | n/a |
Wichita State University
| Assay Description
Compounds 2a and 3a were investigated for their antiviral activity against the replication of SARS-CoV-2. Briefly, confluent Vero E6 cells were inocu... |
J Med Chem 64: 10047-10058 (2021)
Article DOI: 10.1021/acs.jmedchem.1c00319
BindingDB Entry DOI: 10.7270/Q2GF0XK7 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM525256
((H)Arg-Glu-Phe-Arg-kbt | N-0438)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |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 | n/a | 36 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se... |
Citation and Details
Article DOI: 10.1038/s41586-022-04661-w
BindingDB Entry DOI: 10.7270/Q2NP27M4 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581852
(WO2022208262, Example 25)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1cccc(Cl)c1)C2(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM510137
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](CC1CCC1)NC(=O)C(F)(F)F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2021250648
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2Z89GKW |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448314
(MI-28)Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1 |r| Show InChI InChI=1S/C23H28ClN3O5/c24-16-4-6-18(7-5-16)32-13-20(29)27-11-15-2-1-3-19(15)21(27)23(31)26-17(12-28)10-14-8-9-25-22(14)30/h4-7,12,14-15,17,19,21H,1-3,8-11,13H2,(H,25,30)(H,26,31)/t14-,15-,17-,19+,21+/m0/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 | n/a | 42 | n/a | n/a | n/a | n/a |
Sichuan University
| |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM534230
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1cc(OC)c(C#N)c(OC)c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022081973
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QV3QQ0 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581867
(WO2022208262, Example 48)Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CC(=O)NC1=O)C(=O)COc1ccccc1F)C2(C)C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM581860
(WO2022208262, Example 8)Show SMILES Cn1nc(cc1OCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C)C(F)F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022208262
| n/a | n/a | n/a | n/a | 49.1 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2R49VMN |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM510136
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](CC1CCC1)NC(=O)C(F)(F)F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2021250648
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2Z89GKW |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM510038
((3S)-3-({N-[(4-methoxy-1 H-indol-2-yl)carbonyl]-L-...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)Cc1c(C)cc(cc1C)C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2021205290
| n/a | n/a | n/a | n/a | 51 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q26T0QSR |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50592591
(CHEMBL5190267)Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |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 | n/a | 56 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114570
BindingDB Entry DOI: 10.7270/Q2377DPJ |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448317
(MI-31)Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1Cl |r| Show InChI InChI=1S/C23H27Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-15,17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17+,21+/m0/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 | n/a | 62 | n/a | n/a | n/a | n/a |
Sichuan University
| |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50281169
(CHEMBL4173846 | US20240034730, Compound 1)Show SMILES Oc1nn2ccccc2c1C(=O)Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F Show InChI InChI=1S/C20H11F4N3O2/c21-14-12(10-6-2-1-3-7-10)15(22)17(24)18(16(14)23)25-19(28)13-11-8-4-5-9-27(11)26-20(13)29/h1-9H,(H,25,28)(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM648426
(US20240033256, Compound 1) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM534272
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)Show SMILES CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(C#N)c(F)c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022081973
| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QV3QQ0 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM429505
(Remdesivir | US20240034730, Compound Remdesivir | ...)Show SMILES CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccccc1 Show InChI InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| WIPO WO2021205298
| n/a | n/a | n/a | n/a | 74 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to protect cells against infection by SARS-CoV-2 is measured by a cell viability assay similar to that described in Weislow,... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q232001P |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448230
(11b | MI-02)Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H31N3O5/c1-27(2)21-13-30(22(32)15-35-20-8-7-16-5-3-4-6-17(16)12-20)24(23(21)27)26(34)29-19(14-31)11-18-9-10-28-25(18)33/h3-8,12,14,18-19,21,23-24H,9-11,13,15H2,1-2H3,(H,28,33)(H,29,34)/t18-,19-,21-,23-,24+/m0/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 | n/a | 75 | n/a | n/a | n/a | n/a |
Sichuan University
| |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496902
(CVD-0018409 | PF-07321332 | US11351149, Example 13...)Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| WIPO WO2021250648
| n/a | n/a | n/a | n/a | 75 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2Z89GKW |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM648426
(US20240033256, Compound 1) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 76.8 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM534239
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cncc(c1)S(C)(=O)=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022081973
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QV3QQ0 |
More data for this
Ligand-Target Pair | |
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