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BDBM103273 US8546389, 180

SMILES: CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cnn(C)c3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1

InChI Key: InChIKey=VSAPZXNOEBLYMV-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 = 103273   
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))
BDBM103273
PNG
(US8546389, 180)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cnn(C)c3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C28H32BrN7O4S/c1-17-23(16-32-34(17)3)27(37)31-12-5-13-35(41(4,39)40)25-15-24-22(14-21(25)18-6-7-18)26(28(38)30-2)36(33-24)20-10-8-19(29)9-11-20/h8-11,14-16,18H,5-7,12-13H2,1-4H3,(H,30,38)(H,31,37)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/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))
BDBM103273
PNG
(US8546389, 180)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cnn(C)c3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C28H32BrN7O4S/c1-17-23(16-32-34(17)3)27(37)31-12-5-13-35(41(4,39)40)25-15-24-22(14-21(25)18-6-7-18)26(28(38)30-2)36(33-24)20-10-8-19(29)9-11-20/h8-11,14-16,18H,5-7,12-13H2,1-4H3,(H,30,38)(H,31,37)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 370n/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