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BDBM50536250 CHEMBL4588925

SMILES: C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CC(O)C1)c1cc(sc1C(O)=O)C#CC(C)(C)C

InChI Key: InChIKey=WZIAJHBKHIQCAL-WKILWMFISA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50536250   
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 5A


(Hepatitis C virus)		BDBM50536250
PNG
(CHEMBL4588925)
Show SMILES C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CC(O)C1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,(36.78,-15.22,;35.92,-16.5,;36.59,-17.89,;35.74,-19.16,;34.2,-19.05,;33.52,-17.68,;34.38,-16.4,;33.34,-20.33,;34.02,-21.71,;31.81,-20.22,;31.12,-18.84,;29.59,-18.74,;28.73,-20.02,;28.91,-17.36,;29.41,-15.91,;27.95,-15.41,;27.27,-14.03,;27.45,-16.87,;30.95,-21.51,;29.41,-21.57,;28.99,-23.05,;30.27,-23.9,;31.48,-22.96,;32.81,-23.72,;32.81,-25.26,;34.14,-22.95,;27.54,-23.58,;26.09,-24.11,;24.64,-24.64,;23.46,-23.65,;24.38,-26.15,;22.98,-25.25,)|
Show InChI InChI=1S/C24H32N2O5S/c1-15-5-7-16(8-6-15)22(29)26(14-20(28)25-12-17(27)13-25)19-11-18(9-10-24(2,3)4)32-21(19)23(30)31/h11,15-17,27H,5-8,12-14H2,1-4H3,(H,30,31)/t15-,16-
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 66n/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Allosteric inhibition of HCV genotype 1b NS5A infected in human l389lucubi- neo/NS3-375.1-containing Huh7ET cells assessed as RNA replication/transla...

J Med Chem 59: 6293-302 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00541
More data for this
Ligand-Target Pair