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SMILES: COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F

InChI Key: InChIKey=ZLOYFWRVIBMVTE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 70651   
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))
BDBM70651
PNG
(US9693997, 177)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C20H20ClF3N6O4S/c1-33-15-3-2-11(8-16(15)35(31,32)30-4-6-34-7-5-30)17-13(20(22,23)24)9-12(10-14(17)21)26-19-27-18(25)28-29-19/h2-3,8-10H,4-7H2,1H3,(H4,25,26,27,28,29)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70651
PNG
(US9693997, 177)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C20H20ClF3N6O4S/c1-33-15-3-2-11(8-16(15)35(31,32)30-4-6-34-7-5-30)17-13(20(22,23)24)9-12(10-14(17)21)26-19-27-18(25)28-29-19/h2-3,8-10H,4-7H2,1H3,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 18n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair