BDBM403616 (1R,4S,4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-17-methoxy-12-methyl-6,9-dioxo-2,3,4,4a,6,7,8,9,12,13,21,22,23,24,25,25a-hexadecahydro-1H,11H-1,4:10,13-dimethanoquinoxalino[2,3-k][1,10,3,6]benzodioxadiazacyclononadecine-11-carboxamide::US10335409, Example 26

SMILES COC(=O)[C@@H]1[C@H](C)[C@H](CN1C(=O)[C@@H](NC(=O)O[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C=C

InChI Key InChIKey=CCFCBZGKFMSFHC-VXXDMUQWSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 403616   

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

US Patent
LigandPNGBDBM403616((1R,4S,4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1...)
Affinity DataKi:  0.0500nMAssay 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
LigandPNGBDBM403616((1R,4S,4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1...)
Affinity DataKi:  0.170nMAssay 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