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BDBM11288 N-(4-tert-butylphenyl)-2-[(5-cyano-4-cyclohexyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide::pyrimidinone-containing compound 25

SMILES: CC(C)(C)c1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1

InChI Key: InChIKey=OLHLKONSFGSLGT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11288   
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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11288
PNG
(N-(4-tert-butylphenyl)-2-[(5-cyano-4-cyclohexyl-6-...)
Show SMILES CC(C)(C)c1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)16-9-11-17(12-10-16)25-19(28)14-30-22-26-20(15-7-5-4-6-8-15)18(13-24)21(29)27-22/h9-12,15H,4-8,14H2,1-3H3,(H,25,28)(H,26,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+5n/an/an/an/an/an/a



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair