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BDBM196120 US9206232, 77

SMILES: CCN(CC)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)[C@@H]1CCCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1

InChI Key: InChIKey=DMEMWXCZOKDOMY-NYESPQOFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 196120   
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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM196120
PNG
(US9206232, 77)
Show SMILES CCN(CC)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)[C@@H]1CCCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r|
Show InChI InChI=1S/C44H73N7O7S/c1-10-30-26-44(30,39(56)48-59(57,58)50(12-3)13-4)47-36(53)32-27-43(41(8,9)42(43)23-19-24-42)28-51(32)38(55)34(40(5,6)7)46-37(54)33(29-20-15-14-16-21-29)45-35(52)31-22-17-18-25-49(31)11-2/h10,29-34H,1,11-28H2,2-9H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33?,34-,43-,44-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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