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BDBM103278 US8546389, 216

SMILES: CNC(=O)c1n(nc2cc(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1

InChI Key: InChIKey=DGWUFNYVRVBRDE-VXKWHMMOSA-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 = 103278   
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))
BDBM103278
PNG
(US8546389, 216)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C30H36BrN5O6S/c1-32-29(38)27-24-16-23(18-8-9-18)26(17-25(24)34-36(27)20-12-10-19(31)11-13-20)35(43(3,40)41)15-5-14-33-28(37)21-6-4-7-22(21)30(39)42-2/h10-13,16-18,21-22H,4-9,14-15H2,1-3H3,(H,32,38)(H,33,37)/t21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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))
BDBM103278
PNG
(US8546389, 216)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C30H36BrN5O6S/c1-32-29(38)27-24-16-23(18-8-9-18)26(17-25(24)34-36(27)20-12-10-19(31)11-13-20)35(43(3,40)41)15-5-14-33-28(37)21-6-4-7-22(21)30(39)42-2/h10-13,16-18,21-22H,4-9,14-15H2,1-3H3,(H,32,38)(H,33,37)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/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