BDBM103838 MK-5172
SMILES: COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4CC(C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)Oc3nc2c1)C(C)(C)C
InChI Key: InChIKey=OBMNJSNZOWALQB-PDAHHYMFSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM103838 (MK-5172) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description NS3/4A protease was preincubated with increasing concentration of drugs in protease reaction buffer for 1 hour. Inhibition assays were performed in ... | ACS Chem Biol 8: 1469-78 (2013) Article DOI: 10.1021/cb400100g BindingDB Entry DOI: 10.7270/Q2FQ9V7S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM103838 (MK-5172) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description NS3/4A protease was preincubated with increasing concentration of drugs in protease reaction buffer for 1 hour. Inhibition assays were performed in ... | ACS Chem Biol 8: 1469-78 (2013) Article DOI: 10.1021/cb400100g BindingDB Entry DOI: 10.7270/Q2FQ9V7S | |||||||||||
More data for this Ligand-Target Pair |