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SMILES: CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1ccccc1

InChI Key: InChIKey=BOZXTRFDIDZQLX-PDGQHHTCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50176805   
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...)		BDBM50176805
PNG
(CHEMBL3810010)
Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1ccccc1 |t:1|
Show InChI InChI=1S/C22H15ClN2O4/c1-13-18(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)19-11-14(23)7-9-17(19)22(27)28/h2-12H,1H3,(H,27,28)/b18-12-
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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