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SMILES: C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc2ccccc2c1

InChI Key: InChIKey=KTFCHHLYEGQARG-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 31517   
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 [1541-1855]


(Human SARS coronavirus (SARS-CoV))		BDBM31517
PNG
(Naphthyl and Benzamide Derivative, 8)
Show SMILES C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H26N2O3/c1-16(19-10-9-17-7-5-6-8-20(17)15-19)25-22(27)18-11-13-21(14-12-18)26-23(28)29-24(2,3)4/h5-16H,1-4H3,(H,25,27)(H,26,28)/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/a7.523



Purdue University



Assay Description
IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...

J Med Chem 52: 5228-40 (2009)


Article DOI: 10.1021/jm900611t
BindingDB Entry DOI: 10.7270/Q2P8497Z
More data for this
Ligand-Target Pair