BDBM403670 (1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-19,19-difluoro-15-methoxy-10-methyl-4,7-dioxo-1a,2,2a,4,5,6,7,10,11,19,20,21,22,23,23a,23b-hexadecahydro-1H,9H-8,11-methanocyclopropa[4′,5′]cyclopenta[1′,2′:18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-9-carboxamide::US10335409, Example 81
SMILES: COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4(C)CC4)C(=O)[C@@H](NC(=O)O[C@@H]4C[C@@H]5C[C@@H]5[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1
InChI Key: InChIKey=CVCDSBFOSYUOHB-FKDRBJTOSA-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 serine protease (NS3) (Hepatitis C Virus (Virus)) | BDBM403670 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe... | PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV)) | BDBM403670 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe... | PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC | |||||||||||
More data for this Ligand-Target Pair |