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BDBM47922 2-(4-acetamido-N-[2-(1-benzotriazolyl)-1-oxoethyl]anilino)-2-(3-methoxyphenyl)-N-(2-oxolanylmethyl)acetamide::2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide::2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(3-methoxyphenyl)-N-(tetrahydrofurfuryl)acetamide::2-[(4-Acetylamino-phenyl)-(2-benzotriazol-1-yl-acetyl)-amino]-2-(3-methoxy-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide::2-[(4-acetamidophenyl)-[2-(benzotriazol-1-yl)ethanoyl]amino]-2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamide::MLS001220026::SMR000600232::cid_3191728

SMILES: COc1cccc(c1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1

InChI Key: InChIKey=PFLVVEJGYCXRAT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 47922   
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)		BDBM47922
PNG
(2-(4-acetamido-N-[2-(1-benzotriazolyl)-1-oxoethyl]...)
Show SMILES COc1cccc(c1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C30H32N6O5/c1-20(37)32-22-12-14-23(15-13-22)36(28(38)19-35-27-11-4-3-10-26(27)33-34-35)29(21-7-5-8-24(17-21)40-2)30(39)31-18-25-9-6-16-41-25/h3-5,7-8,10-15,17,25,29H,6,9,16,18-19H2,1-2H3,(H,31,39)(H,32,37)
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.12E+4n/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