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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 = 'BDBM50081636'   
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))
BDBM50081636
PNG
(CHEMBL3422108)
Show SMILES CC(C)CNCc1c(sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)C3CCN(C3)C(C)C)c12)C(O)=O
Show InChI InChI=1/C34H48N4O3S/c1-22(2)18-35-19-27-31-33(42-32(27)34(40)41)29(24-12-8-6-9-13-24)30(25-14-10-7-11-15-25)38(31)21-28(39)36(5)26-16-17-37(20-26)23(3)4/h7,10-11,14-15,22-24,26,35H,6,8-9,12-13,16-21H2,1-5H3,(H,40,41)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr


Eur J Med Chem 94: 218-28 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.012
More data for this
Ligand-Target Pair