BDBM403617 (3aR,7S10S,1S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-16-methoxy-11-methyl-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide::US10335409, Example 27

SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3CCC[C@H]3CCCC=C)C(C)(C)C)nc2c1

InChI Key InChIKey=VCABWNUYAHGWBW-CVNUXGKESA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 403617   

TargetGenome polyprotein(Hepatitis C Virus (Virus))
Gilead Pharmasset

US Patent
LigandPNGBDBM403617((3aR,7S10S,1S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-2-...)
Affinity DataKi:  0.0300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGenome polyprotein(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
Gilead Pharmasset

US Patent
LigandPNGBDBM403617((3aR,7S10S,1S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-2-...)
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent