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BDBM103261 US8546389, 134

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

InChI Key: InChIKey=MQYZNEPTELORCS-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 = 103261   
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))
BDBM103261
PNG
(US8546389, 134)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNS(C)(=O)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H28BrN5O5S2/c1-25-23(30)22-19-13-18(15-5-6-15)21(28(36(3,33)34)12-4-11-26-35(2,31)32)14-20(19)27-29(22)17-9-7-16(24)8-10-17/h7-10,13-15,26H,4-6,11-12H2,1-3H3,(H,25,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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))
BDBM103261
PNG
(US8546389, 134)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNS(C)(=O)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H28BrN5O5S2/c1-25-23(30)22-19-13-18(15-5-6-15)21(28(36(3,33)34)12-4-11-26-35(2,31)32)14-20(19)27-29(22)17-9-7-16(24)8-10-17/h7-10,13-15,26H,4-6,11-12H2,1-3H3,(H,25,30)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/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