BindingDB logo
myBDB logout

null

SMILES: OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccco2)C1=O)c1ccccc1

InChI Key: InChIKey=HPJRFNJSAWHFEU-AQTBWJFISA-N

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 = 50176861   
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...)		BDBM50176861
PNG
(CHEMBL3809833)
Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccco2)C1=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C21H14N2O4/c24-20-18(13-17-10-5-11-27-17)19(14-6-2-1-3-7-14)22-23(20)16-9-4-8-15(12-16)21(25)26/h1-13H,(H,25,26)/b18-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>5.00E+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