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BDBM47845 2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-furan-2-ylmethyl-2-(3-methoxy-phenyl)-acetamide::2-[2-(benzotriazol-1-yl)ethanoyl-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)ethanamide::2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(2-furanylmethyl)amino]-N-(2-furanylmethyl)-2-(3-methoxyphenyl)acetamide::2-[[2-(benzotriazol-1-yl)acetyl]-(2-furfuryl)amino]-N-(2-furfuryl)-2-(3-methoxyphenyl)acetamide::2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide::MLS000527188::SMR000117662::cid_3206295

SMILES: COc1cccc(c1)C(N(Cc1ccco1)C(=O)Cn1nnc2ccccc12)C(=O)NCc1ccco1

InChI Key: InChIKey=GROOCDCQBXOOCH-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 47845   
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)
BDBM47845
PNG
(2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-a...)
Show SMILES COc1cccc(c1)C(N(Cc1ccco1)C(=O)Cn1nnc2ccccc12)C(=O)NCc1ccco1
Show InChI InChI=1S/C27H25N5O5/c1-35-20-8-4-7-19(15-20)26(27(34)28-16-21-9-5-13-36-21)31(17-22-10-6-14-37-22)25(33)18-32-24-12-3-2-11-23(24)29-30-32/h2-15,26H,16-18H2,1H3,(H,28,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.76E+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