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BDBM103283 US8546389, 5

SMILES: CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccccc2F)cc1

InChI Key: InChIKey=FVVXCZIKZPZTOU-UHFFFAOYSA-N

Data: 2 IC50

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 = 103283   
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
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103283
PNG
(US8546389, 5)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccccc2F)cc1
Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-22-16-21(18-8-9-18)26(33(14-5-15-35)39(2,37)38)17-25(22)32-34(27)20-12-10-19(11-13-20)31-24-7-4-3-6-23(24)29/h3-4,6-7,10-13,16-18,31,35H,5,8-9,14-15H2,1-2H3,(H,30,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103283
PNG
(US8546389, 5)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccccc2F)cc1
Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-22-16-21(18-8-9-18)26(33(14-5-15-35)39(2,37)38)17-25(22)32-34(27)20-12-10-19(11-13-20)31-24-7-4-3-6-23(24)29/h3-4,6-7,10-13,16-18,31,35H,5,8-9,14-15H2,1-2H3,(H,30,36)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/a



Biota Scientific Management Pty Ltd.

US Patent


Assay Description
HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...


US Patent US8546389 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ06XK
More data for this
Ligand-Target Pair