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BDBM103265 US8546389, 164

SMILES: CCOC(=O)CCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O

InChI Key: InChIKey=IRYDWTRHIRJSCG-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 = 103265   
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))
BDBM103265
PNG
(US8546389, 164)
Show SMILES CCOC(=O)CCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H34BrN5O6S/c1-4-40-26(36)13-12-25(35)31-14-5-15-33(41(3,38)39)24-17-23-22(16-21(24)18-6-7-18)27(28(37)30-2)34(32-23)20-10-8-19(29)9-11-20/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,30,37)(H,31,35)
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))
BDBM103265
PNG
(US8546389, 164)
Show SMILES CCOC(=O)CCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H34BrN5O6S/c1-4-40-26(36)13-12-25(35)31-14-5-15-33(41(3,38)39)24-17-23-22(16-21(24)18-6-7-18)27(28(37)30-2)34(32-23)20-10-8-19(29)9-11-20/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,30,37)(H,31,35)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 520n/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