Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50414
Substrate
n/a
Meas. Tech.
Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3).
IC50
8087±n/a nM
Citation
 PubChem, PC Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3). PubChem Bioassay (2009)[AID] 
Target
Name:
Genome polyprotein
Synonyms:
NS3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
67067.41
Organism:
Hepatitis C virus
Description:
gi_125541954
Residue:
631
Sequence:
APITAYAQQTRGLLGCIITGLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMRSPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGSAYDIIICDECHSTDATSILGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIKGGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLTHIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEITLTHPITKYIMTCMSADLEVVT
  
Inhibitor
Name:
BDBM50414
Synonyms:
4-bromanyl-2-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one | 4-bromo-2-[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]-7-(methylamino)-1-cyclohepta-2,4,6-trienone | 4-bromo-2-[(E)-3-(2,4-dichlorophenyl)acryloyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one | 4-bromo-2-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one | 4-bromo-2-[3-(2,4-dichlorophenyl)acryloyl]-7-(methylamino)-2,4,6-cycloheptatrien-1-one | MLS000702111 | SMR000229852 | cid_9510845
Type:
Small organic molecule
Emp. Form.:
C17H12BrCl2NO2
Mol. Mass.:
413.093
SMILES:
CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1=O
Structure:
Search PDB for entries with ligand similarity: