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SMILES: CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1

InChI Key: InChIKey=KRVBPGRPHRGDBE-UIECJPCFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 110393   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM110393
PNG
(US8613914, 167 | US9206232, 167)
Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C40H60N8O7S/c1-9-26-21-40(26,35(53)46-56(54,55)47(8)10-2)45-32(50)28-22-39(37(6,7)38(39)17-14-18-38)24-48(28)34(52)30(36(3,4)5)44-33(51)29(25-15-12-11-13-16-25)43-31(49)27-23-41-19-20-42-27/h9,19-20,23,25-26,28-30H,1,10-18,21-22,24H2,2-8H3,(H,43,49)(H,44,51)(H,45,50)(H,46,53)/t26-,28+,29?,30-,39-,40-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...


US Patent US9206232 (2015)


BindingDB Entry DOI: 10.7270/Q2M0447H
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM110393
PNG
(US8613914, 167 | US9206232, 167)
Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C40H60N8O7S/c1-9-26-21-40(26,35(53)46-56(54,55)47(8)10-2)45-32(50)28-22-39(37(6,7)38(39)17-14-18-38)24-48(28)34(52)30(36(3,4)5)44-33(51)29(25-15-12-11-13-16-25)43-31(49)27-23-41-19-20-42-27/h9,19-20,23,25-26,28-30H,1,10-18,21-22,24H2,2-8H3,(H,43,49)(H,44,51)(H,45,50)(H,46,53)/t26-,28+,29?,30-,39-,40-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A prot...


US Patent US8613914 (2013)


BindingDB Entry DOI: 10.7270/Q28C9TWW
More data for this
Ligand-Target Pair