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BDBM50061546 (S)-2-((S)-2-Acetylamino-3,3-dimethyl-butyrylamino)-N*4*,N*4*-dimethyl-N*1*-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide::CHEMBL133852

SMILES: CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=AGTVEWMUFIDICN-DALSCRRLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061546   
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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061546
PNG
((S)-2-((S)-2-Acetylamino-3,3-dimethyl-butyrylamino...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H29F3N4O5/c1-9(14(28)18(19,20)21)22-15(29)11(8-12(27)25(6)7)24-16(30)13(17(3,4)5)23-10(2)26/h9,11,13H,8H2,1-7H3,(H,22,29)(H,23,26)(H,24,30)/t9?,11-,13+/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair