BDBM403627 (1R,4S,4aR,8S,11 S, 12S,13R,25aR)-8-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-12-ethyl-17-methoxy-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 37

SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1[C@H]3CC[C@H](C3)[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C

InChI Key InChIKey=ZEPZWDNJAFNPEW-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 = 403627   

TargetGenome polyprotein(HCV)
Gilead Pharmasset

US Patent
LigandPNGBDBM403627(US10335409, Example 37 | (1R,4S,4aR,8S,11 S, 12S,1...)
Affinity DataKi:  0.100nMAssay 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
LigandPNGBDBM403627(US10335409, Example 37 | (1R,4S,4aR,8S,11 S, 12S,1...)
Affinity DataKi:  0.190nMAssay 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