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BDBM103259 US8546389, 117

SMILES: CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(NCC(C)C)cc1)S(C)(=O)=O

InChI Key: InChIKey=MEPZWOMCXYZOPT-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 = 103259   
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))
BDBM103259
PNG
(US8546389, 117)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(NCC(C)C)cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H33N5O3S/c1-6-29(34(5,32)33)23-14-22-21(13-20(23)17-7-8-17)24(25(31)26-4)30(28-22)19-11-9-18(10-12-19)27-15-16(2)3/h9-14,16-17,27H,6-8,15H2,1-5H3,(H,26,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/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))
BDBM103259
PNG
(US8546389, 117)
Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(NCC(C)C)cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H33N5O3S/c1-6-29(34(5,32)33)23-14-22-21(13-20(23)17-7-8-17)24(25(31)26-4)30(28-22)19-11-9-18(10-12-19)27-15-16(2)3/h9-14,16-17,27H,6-8,15H2,1-5H3,(H,26,31)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 430n/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