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SMILES: [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCc3ccccc3)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C

InChI Key:

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50592820   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50592820
PNG
(CHEMBL5200532 | US20240043417, Example TABLE 1.8)
Show SMILES [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCc3ccccc3)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50592820
PNG
(CHEMBL5200532 | US20240043417, Example TABLE 1.8)
Show SMILES [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCc3ccccc3)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114596
BindingDB Entry DOI: 10.7270/Q2RV0SQ0
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50592820
PNG
(CHEMBL5200532 | US20240043417, Example TABLE 1.8)
Show SMILES [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCc3ccccc3)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114596
BindingDB Entry DOI: 10.7270/Q2RV0SQ0
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50592820
PNG
(CHEMBL5200532 | US20240043417, Example TABLE 1.8)
Show SMILES [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCc3ccccc3)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair