BindingDB logo
myBDB logout

BDBM103272 US8546389, 179

SMILES: CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3nonc3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1

InChI Key: InChIKey=ICDNOXRGCRALSG-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 = 103272   
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
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate NZL1) (HCV))
BDBM103272
PNG
(US8546389, 179)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3nonc3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H28BrN7O5S/c1-15-23(32-39-31-15)25(35)29-11-4-12-33(40(3,37)38)22-14-21-20(13-19(22)16-5-6-16)24(26(36)28-2)34(30-21)18-9-7-17(27)8-10-18/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,28,36)(H,29,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103272
PNG
(US8546389, 179)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3nonc3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H28BrN7O5S/c1-15-23(32-39-31-15)25(35)29-11-4-12-33(40(3,37)38)22-14-21-20(13-19(22)16-5-6-16)24(26(36)28-2)34(30-21)18-9-7-17(27)8-10-18/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,28,36)(H,29,35)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 260n/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