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SMILES: CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2C(C)Cn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1

InChI Key: InChIKey=SNAPSRUTHMAAQQ-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 = 204727   
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 (Virus))
BDBM204727
PNG
(US9243002, 62)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2C(C)Cn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28F2N4O4S/c1-18-17-40-27-7-5-6-25(36)22(27)15-29(40)32-21(18)12-13-26(38-32)23-14-24-30(16-28(23)39(3)45(4,42)43)44-33(31(24)34(41)37-2)19-8-10-20(35)11-9-19/h5-16,18H,17H2,1-4H3,(H,37,41)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.55n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM204727
PNG
(US9243002, 62)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2C(C)Cn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28F2N4O4S/c1-18-17-40-27-7-5-6-25(36)22(27)15-29(40)32-21(18)12-13-26(38-32)23-14-24-30(16-28(23)39(3)45(4,42)43)44-33(31(24)34(41)37-2)19-8-10-20(35)11-9-19/h5-16,18H,17H2,1-4H3,(H,37,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair