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BDBM50023580 CHEMBL3326536

SMILES: [H][C@]12C[C@@]1(NC(=O)[C@]1([H])C[C@@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)N1C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=AMVNCHFDMFTEPN-LNQPZGNMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023580   
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
Nonstructural protein NS3-4A


(Hepatitis C virus)		BDBM50023580
PNG
(CHEMBL3326536)
Show SMILES [H][C@]12C[C@@]1(NC(=O)[C@]1([H])C[C@@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)N1C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45|
Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-33(42)31-18-25(41(31)35(40)44)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,42)(H,39,43)/b12-8-/t24-,25-,31-,36-/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay

Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair