BDBM403629 (3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-1-ethyl-16-methoxy-3a-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 39

SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl

InChI Key InChIKey=ULZSIQUNVWFBRV-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 403629   

TargetGenome polyprotein(HCV)
Gilead Pharmasset

US Patent
LigandPNGBDBM403629(US10335409, Example 39 | (3aR,7S,10S,11S,12R,24aR)...)
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
In Depth
Date in BDB:
5/31/2020
Entry Details
US Patent

TargetGenome polyprotein(HCV)
Gilead Pharmasset

US Patent
LigandPNGBDBM403629(US10335409, Example 39 | (3aR,7S,10S,11S,12R,24aR)...)
Affinity DataKi:  0.200nMAssay 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
In Depth
Date in BDB:
5/31/2020
Entry Details
US Patent