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SMILES: Cc1cc2[nH]c(=O)n(-c3cncc4ccccc34)c(=O)c2cc1C(F)(F)F

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 1 hit for monomerid = 581889   
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)		BDBM581889
PNG
(WO2022224223, Example 19)
Show SMILES Cc1cc2[nH]c(=O)n(-c3cncc4ccccc34)c(=O)c2cc1C(F)(F)F |(-6.29,2.29,;-4.96,1.52,;-3.62,2.29,;-2.29,1.52,;-.96,2.29,;.38,1.52,;1.71,2.29,;.38,-.02,;1.71,-.79,;1.71,-2.33,;3.04,-3.1,;4.38,-2.33,;4.38,-.79,;5.71,-.02,;5.71,1.52,;4.38,2.29,;3.04,1.52,;3.04,-.02,;-.96,-.79,;-.96,-2.33,;-2.29,-.02,;-3.62,-.79,;-4.96,-.02,;-6.29,-.79,;-6.29,-2.33,;-6.29,.75,;-7.63,-1.56,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022224223
n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
 Assay buffer preparation: 50 mM HEPES pH 7.3, 150 mM NaCl, 1 mM EDTA, 0.01% pluronic f-127(Catalog # 59005, Biotium) was prepared using UltraPure Di...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC93W9
More data for this
Ligand-Target Pair