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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 = 'BDBM50081634'   
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))
BDBM50081634
PNG
(CHEMBL3422106)
Show SMILES CC(C)N1CCC(C1)N(C)C(=O)Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccccc1
Show InChI InChI=1/C29H37N3O3S/c1-19(2)31-15-14-22(17-31)30(3)25(33)18-32-23-16-24(29(34)35)36-28(23)26(20-10-6-4-7-11-20)27(32)21-12-8-5-9-13-21/h5,8-9,12-13,16,19-20,22H,4,6-7,10-11,14-15,17-18H2,1-3H3,(H,34,35)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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