BDBM78957 MLS001163269::N-[(Z)-1-[3-(dimethylamino)propylcarbamoyl]-2-[5-(3-nitrophenyl)-2-furyl]vinyl]-4-methyl-benzamide::N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(3-nitrophenyl)-2-furanyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide::N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-{1-({[3-(dimethylamino)propyl]amino}carbonyl)-2-[5-(3-nitrophenyl)-2-furyl]vinyl}-4-methylbenzamide::SMR000496794::cid_2131972::jm5b01461, Compound 186

SMILES CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=QFOLMPFZCVBCTJ-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 78957   

TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM78957(cid_2131972 | N-[(Z)-3-[3-(dimethylamino)propylami...)
Affinity DataKi:  9.11E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM78957(cid_2131972 | N-[(Z)-3-[3-(dimethylamino)propylami...)
Affinity DataKi:  9.11E+3nMAssay Description:Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78957(cid_2131972 | N-[(Z)-3-[3-(dimethylamino)propylami...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM78957(cid_2131972 | N-[(Z)-3-[3-(dimethylamino)propylami...)
Affinity DataIC50: 3.86E+4nMAssay Description:Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) after 30 mins by FRET based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed