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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Non-structural protein 5B (NS5B)' and Ligand = 'BDBM103271'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM103271
PNG
(US8546389, 177)
Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccnc(OC)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
Show InChI InChI=1S/C29H31BrN6O5S/c1-31-29(38)27-23-16-22(18-5-6-18)25(17-24(23)34-36(27)21-9-7-20(30)8-10-21)35(42(3,39)40)14-4-12-33-28(37)19-11-13-32-26(15-19)41-2/h7-11,13,15-18H,4-6,12,14H2,1-3H3,(H,31,38)(H,33,37)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 280n/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