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BDBM50536247 CHEMBL4521916

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

InChI Key: InChIKey=URTSLTBDZVKTJK-BXWFABGCSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50536247   
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)		BDBM50536247
PNG
(CHEMBL4521916)
Show SMILES C[C@H]1CC[C@@H](CC1)C(=O)N([C@@H](CO)C(=O)N(C)C)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,10.11,(57.45,-1.11,;56.59,-2.39,;57.26,-3.78,;56.4,-5.05,;54.86,-4.94,;54.18,-3.57,;55.05,-2.29,;54.01,-6.22,;54.69,-7.6,;52.47,-6.12,;51.79,-4.73,;52.65,-3.45,;52.24,-1.94,;50.25,-4.63,;49.4,-5.91,;49.57,-3.25,;50.43,-1.97,;48.04,-3.15,;51.62,-7.4,;50.08,-7.46,;49.65,-8.94,;50.93,-9.8,;52.15,-8.85,;53.47,-9.61,;53.47,-11.15,;54.81,-8.84,;48.21,-9.47,;46.75,-10,;45.31,-10.53,;44.13,-9.54,;45.04,-12.04,;43.65,-11.14,)|
Show InChI InChI=1S/C24H34N2O5S/c1-15-7-9-16(10-8-15)21(28)26(19(14-27)22(29)25(5)6)18-13-17(11-12-24(2,3)4)32-20(18)23(30)31/h13,15-16,19,27H,7-10,14H2,1-6H3,(H,30,31)/t15-,16-,19-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 60n/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