new BindingDB logo
myBDB logout

BDBM103258 US8546389, 112

SMILES: CNC(=O)c1n(nc2cc(N(CCN3CCOCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1

InChI Key: InChIKey=SHTFLWGXAKRVFU-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 = 103258   
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))
BDBM103258
PNG
(US8546389, 112)
Show SMILES CNC(=O)c1n(nc2cc(N(CCN3CCOCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C31H34FN5O5S/c1-33-31(38)30-27-19-26(21-3-4-21)29(36(43(2,39)40)14-13-35-15-17-41-18-16-35)20-28(27)34-37(30)23-7-11-25(12-8-23)42-24-9-5-22(32)6-10-24/h5-12,19-21H,3-4,13-18H2,1-2H3,(H,33,38)
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))
BDBM103258
PNG
(US8546389, 112)
Show SMILES CNC(=O)c1n(nc2cc(N(CCN3CCOCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C31H34FN5O5S/c1-33-31(38)30-27-19-26(21-3-4-21)29(36(43(2,39)40)14-13-35-15-17-41-18-16-35)20-28(27)34-37(30)23-7-11-25(12-8-23)42-24-9-5-22(32)6-10-24/h5-12,19-21H,3-4,13-18H2,1-2H3,(H,33,38)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 410n/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