BDBM50573891 A-1282576::A-1282576.0::A-12825760::ABT-493::Glecaprevir

SMILES CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC\C=C\C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1

InChI Key InChIKey=MLSQGNCUYAMAHD-ITNVBOSISA-N

Data  2 KI

PDB links: 10 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50573891   

TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50573891(A-1282576 | A-1282576.0 | A-12825760 | ABT-493 | G...)
Affinity DataKi:  0.0500nMAssay Description:Inhibition of HCV GT-1a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50573891(A-1282576 | A-1282576.0 | A-12825760 | ABT-493 | G...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of HCV GT-3a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair