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SMILES: CON(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@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1

InChI Key: InChIKey=YNYFVDOGUKBANE-ZPWJQIKTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 110287   
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))
BDBM110287
PNG
(US8613914, 55 | US9206232, 55)
Show SMILES CON(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@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C43H71N7O8S/c1-11-29-24-43(29,38(55)47-59(56,57)48(9)58-10)46-35(52)31-25-42(40(7,8)41(42)21-17-22-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-18-13-12-14-19-28)44-34(51)30-20-15-16-23-49(30)27(2)3/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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)
BDBM110287
PNG
(US8613914, 55 | US9206232, 55)
Show SMILES CON(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@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C43H71N7O8S/c1-11-29-24-43(29,38(55)47-59(56,57)48(9)58-10)46-35(52)31-25-42(40(7,8)41(42)21-17-22-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-18-13-12-14-19-28)44-34(51)30-20-15-16-23-49(30)27(2)3/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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