Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM55042
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
5224±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:
BDBM55042
Synonyms:
6-(4-Chloro-phenylsulfanylmethyl)-2-phenyl-1,2-dihydro-7H-pyrazolo[3,4-b]pyridine-3,4-dione | 6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione | 6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione | 6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-quinone | MLS000779097 | SMR000415807 | cid_1862335
Type:
Small organic molecule
Emp. Form.:
C19H14ClN3O2S
Mol. Mass.:
383.851
SMILES:
Oc1cc(CSc2ccc(Cl)cc2)nc2[nH]n(-c3ccccc3)c(=O)c12
Structure:
Search PDB for entries with ligand similarity: