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SMILES: FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 525251   
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


(HCoV-OC43)
BDBM525251
PNG
(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Show SMILES FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022043374
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-OC433CLpro assay, 2 μL of 0.02 μM recombinant HCoV-OC433CL protease were mixed with serial dilutions of each comp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM525251
PNG
(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Show SMILES FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022043374
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
For the SARS-CoV-2 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV-2 3CL protease were mixed with serial dilutions of each c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525251
PNG
(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Show SMILES FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022043374
n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM525251
PNG
(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Show SMILES FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022043374
n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
For the SARS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV 3CL protease were mixed with serial dilutions of each compo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Orf1a protein


(MERS-CoV)
BDBM525251
PNG
(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Show SMILES FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022043374
n/an/a 94n/an/an/an/an/an/a


TBA

Assay Description
For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-CoV 3CL protease were mixed with serial dilutions of each compo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair