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BDBM50081635 CHEMBL3422107

SMILES: CC(C)N1CC[C@H](C1)N1CCn2c(c(C3CCCCC3)c3sc(cc23)C(O)=O)-c2ccccc2C1

InChI Key: InChIKey=JYUHMSQBLWDSTO-ANBDAQEENA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081635   
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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50081635
PNG
(CHEMBL3422107)
Show SMILES CC(C)N1CC[C@H](C1)N1CCn2c(c(C3CCCCC3)c3sc(cc23)C(O)=O)-c2ccccc2C1 |r|
Show InChI InChI=1/C29H37N3O2S/c1-19(2)30-13-12-22(18-30)31-14-15-32-24-16-25(29(33)34)35-28(24)26(20-8-4-3-5-9-20)27(32)23-11-7-6-10-21(23)17-31/h6-7,10-11,16,19-20,22H,3-5,8-9,12-15,17-18H2,1-2H3,(H,33,34)/t22-/s2
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/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