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BDBM103268 US8546389, 172

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

InChI Key: InChIKey=OEILAGQOUDMARP-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 = 103268   
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))
BDBM103268
PNG
(US8546389, 172)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C(F)(F)F)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrF3N5O4S/c1-29-22(34)21-18-12-17(14-4-5-14)20(13-19(18)31-33(21)16-8-6-15(25)7-9-16)32(38(2,36)37)11-3-10-30-23(35)24(26,27)28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,34)(H,30,35)
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))
BDBM103268
PNG
(US8546389, 172)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C(F)(F)F)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrF3N5O4S/c1-29-22(34)21-18-12-17(14-4-5-14)20(13-19(18)31-33(21)16-8-6-15(25)7-9-16)32(38(2,36)37)11-3-10-30-23(35)24(26,27)28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,34)(H,30,35)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/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