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BDBM124108 US8754105, 22

SMILES: COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)cc(nc2c1)-c1ccccc1

InChI Key: InChIKey=ZNKKFPUPLGASNG-BHHHAAIVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124108   
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
NS3/4A protein


(Hepatitis C virus)		BDBM124108
PNG
(US8754105, 22)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)cc(nc2c1)-c1ccccc1 |r,c:21|
Show InChI InChI=1S/C32H33N3O7/c1-40-22-12-13-24-26(15-22)33-25(20-9-5-4-6-10-20)17-28(24)42-23-16-27-29(36)34-32(30(37)38)18-21(32)11-7-2-3-8-14-41-31(39)35(27)19-23/h4-7,9-13,15,17,21,23,27H,2-3,8,14,16,18-19H2,1H3,(H,34,36)(H,37,38)/b11-7-/t21-,23-,27+,32-/m1/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
US Patent
 1.07E+3 -8.28n/an/an/an/an/a7.530



Medivir AB; Janssen R&D Ireland

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754105 (2014)


BindingDB Entry DOI: 10.7270/Q2QC0250
More data for this
Ligand-Target Pair