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SMILES: CC1(C)[C@H]2CN(C([C@H]12)C(=O)N[C@@H](C[C@H]1C(=O)NCC1(F)F)C=O)C(=O)COc1ccc(Cl)cc1Cl

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 535818   
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)
BDBM535818
PNG
(WO2022021841, 56)
Show SMILES CC1(C)[C@H]2CN(C([C@H]12)C(=O)N[C@@H](C[C@H]1C(=O)NCC1(F)F)C=O)C(=O)COc1ccc(Cl)cc1Cl |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
33n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair