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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50592826'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50592826
PNG
(CHEMBL5184261)
Show SMILES [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)CC(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 22n/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)
BDBM50592826
PNG
(CHEMBL5184261)
Show SMILES [H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)CC(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 2.60E+3n/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