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SMILES: FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1

InChI Key: InChIKey=HIDWEYPGMLIQSN-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 442799   
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)
BDBM442799
PNG
(RS102859)
Show SMILES FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1
Show InChI InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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MCE
PC cid
PC sid
PDB
UniChem
Article
n/an/an/an/a 1.98E+4n/an/an/an/a



Center for Free-Electron Laser Science



Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...


bioRxiv 2020: (2020)


Article DOI: 10.1101/2020.11.12.378422
More data for this
Ligand-Target Pair