Found 3 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM495358' 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 |
|---|
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495358
(EDJ-MED-1981ceba-1)Show SMILES Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc34)c2c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H23ClN4O4S/c24-18-6-5-17-14-28(33(30,31)27-7-9-32-10-8-27)15-21(20(17)11-18)23(29)26-22-13-25-12-16-3-1-2-4-19(16)22/h1-6,11-13,21H,7-10,14-15H2,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description
Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495358
(EDJ-MED-1981ceba-1)Show SMILES Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc34)c2c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H23ClN4O4S/c24-18-6-5-17-14-28(33(30,31)27-7-9-32-10-8-27)15-21(20(17)11-18)23(29)26-22-13-25-12-16-3-1-2-4-19(16)22/h1-6,11-13,21H,7-10,14-15H2,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 138 | n/a | 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) | BDBM495358
(EDJ-MED-1981ceba-1)Show SMILES Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc34)c2c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H23ClN4O4S/c24-18-6-5-17-14-28(33(30,31)27-7-9-32-10-8-27)15-21(20(17)11-18)23(29)26-22-13-25-12-16-3-1-2-4-19(16)22/h1-6,11-13,21H,7-10,14-15H2,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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