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SMILES: C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(Cl)ccn1)C(=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=ULSRVGMAVIFBIC-AEYMZTNTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 229550   
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 [1028-1200,1251-1711]


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229550
PNG
(US9334279, 1026)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(Cl)ccn1)C(=O)NS(=O)(=O)C1CC1 |r,c:4|
Show InChI InChI=1S/C33H43ClF3N5O8S/c1-18-7-5-6-8-20-16-32(20,29(45)41-51(47,48)23-9-10-23)40-27(43)24-15-22(49-25-14-21(34)11-12-38-25)17-42(24)28(44)26(19(2)13-18)39-30(46)50-31(3,4)33(35,36)37/h6,8,11-12,14,18-20,22-24,26H,5,7,9-10,13,15-17H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/b8-6-/t18-,19-,20?,22-,24+,26+,32-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9334279 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R1W
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229550
PNG
(US9334279, 1026)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(Cl)ccn1)C(=O)NS(=O)(=O)C1CC1 |r,c:4|
Show InChI InChI=1S/C33H43ClF3N5O8S/c1-18-7-5-6-8-20-16-32(20,29(45)41-51(47,48)23-9-10-23)40-27(43)24-15-22(49-25-14-21(34)11-12-38-25)17-42(24)28(44)26(19(2)13-18)39-30(46)50-31(3,4)33(35,36)37/h6,8,11-12,14,18-20,22-24,26H,5,7,9-10,13,15-17H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/b8-6-/t18-,19-,20?,22-,24+,26+,32-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


US Patent US9334279 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R1W
More data for this
Ligand-Target Pair