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BDBM103267 US8546389, 171

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

InChI Key: InChIKey=VVQAAUSRRGGPGO-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 = 103267   
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))
BDBM103267
PNG
(US8546389, 171)
Show SMILES CCCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H32BrN5O4S/c1-4-6-24(33)29-13-5-14-31(37(3,35)36)23-16-22-21(15-20(23)17-7-8-17)25(26(34)28-2)32(30-22)19-11-9-18(27)10-12-19/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,28,34)(H,29,33)
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))
BDBM103267
PNG
(US8546389, 171)
Show SMILES CCCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H32BrN5O4S/c1-4-6-24(33)29-13-5-14-31(37(3,35)36)23-16-22-21(15-20(23)17-7-8-17)25(26(34)28-2)32(30-22)19-11-9-18(27)10-12-19/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,28,34)(H,29,33)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 310n/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