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SMILES: COc1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1

InChI Key: InChIKey=SKEVDQNJWPPYIJ-ULJHMMPZSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50176860   
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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50176860
PNG
(CHEMBL3809059)
Show SMILES COc1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C28H20N2O5/c1-34-20-13-11-19(12-14-20)30-27(31)24(26(29-30)18-7-3-2-4-8-18)17-21-15-16-25(35-21)22-9-5-6-10-23(22)28(32)33/h2-17H,1H3,(H,32,33)/b24-17-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.07E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...

Bioorg Med Chem 24: 3035-3042 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JK9
More data for this
Ligand-Target Pair