BDBM123413 US8741926, 94::US8754106, 94
SMILES: COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C
InChI Key: InChIKey=NSICSOQWNRELKK-ZRLZNKEGSA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NS3/4A protein (Hepatitis C virus) | BDBM123413 (US8741926, 94 | US8754106, 94) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p... | US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NS3-4A protease (Hepatitis C virus) | BDBM123413 (US8741926, 94 | US8754106, 94) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | -13.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Janssen R&D Ireland; Medivir AB US Patent | Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ... | US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC | |||||||||||
More data for this Ligand-Target Pair |