Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM55015
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
>108803±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:
BDBM55015
Synonyms:
3-[(3,4-Dihydro-1H-isoquinolin-2-yl)-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-6,7-dimethyl-1H-quinolin-2-one | 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-furanylmethyl)-5-tetrazolyl]methyl]-6,7-dimethyl-1H-quinolin-2-one | 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-furfuryl)tetrazol-5-yl]methyl]-6,7-dimethyl-carbostyril | 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one | 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one | MLS000070652 | SMR000004234 | cid_648448
Type:
Small organic molecule
Emp. Form.:
C27H26N6O2
Mol. Mass.:
466.5343
SMILES:
Cc1cc2cc(C(N3CCc4ccccc4C3)c3nnnn3Cc3ccco3)c(=O)[nH]c2cc1C
Structure:
Search PDB for entries with ligand similarity: