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BDBM47851 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-(3-thiophenyl)acetamide::2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4,6-trimethyl-anilino)-N-tert-butyl-2-(3-thienyl)acetamide::2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide::2-[(2-Benzotriazol-1-yl-acetyl)-(2,4,6-trimethyl-phenyl)-amino]-N-tert-butyl-2-thiophen-3-yl-acetamide::2-[2-(benzotriazol-1-yl)ethanoyl-(2,4,6-trimethylphenyl)amino]-N-tert-butyl-2-thiophen-3-yl-ethanamide::MLS000550771::SMR000173044::cid_3197965

SMILES: Cc1cc(C)c(N(C(C(=O)NC(C)(C)C)c2ccsc2)C(=O)Cn2nnc3ccccc23)c(C)c1

InChI Key: InChIKey=BBPBEYQEPZSXDB-UHFFFAOYSA-N

Data: 1 IC50

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 = 47851   
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 protease


(Avian infectious bronchitis virus)
BDBM47851
PNG
(2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2,4,6-trime...)
Show SMILES Cc1cc(C)c(N(C(C(=O)NC(C)(C)C)c2ccsc2)C(=O)Cn2nnc3ccccc23)c(C)c1
Show InChI InChI=1S/C27H31N5O2S/c1-17-13-18(2)24(19(3)14-17)32(23(33)15-31-22-10-8-7-9-21(22)29-30-31)25(20-11-12-35-16-20)26(34)28-27(4,5)6/h7-14,16,25H,15H2,1-6H3,(H,28,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29K48NM
More data for this
Ligand-Target Pair