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BDBM103282 US8546389, 4

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

InChI Key: InChIKey=YKUQIUYIIZRUPH-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 = 103282   
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))
BDBM103282
PNG
(US8546389, 4)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H25BrN4O4S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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)

More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103282
PNG
(US8546389, 4)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H25BrN4O4S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/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)

More data for this
Ligand-Target Pair