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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50141219'   
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
Genome polyprotein


(Hepatitis C virus)		BDBM50141219
PNG
(CHEMBL407433 | Pyrazine-2-carboxylic acid [(R)-1-(...)
Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C40H51N7O7/c1-7-30(35(48)39(52)43-26(6)28-16-12-9-13-17-28)44-37(50)32-20-29(54-23-27-14-10-8-11-15-27)22-47(32)40(53)34(25(4)5)46-38(51)33(24(2)3)45-36(49)31-21-41-18-19-42-31/h8-19,21,24-26,29-30,32-34H,7,20,22-23H2,1-6H3,(H,43,52)(H,44,50)(H,45,49)(H,46,51)/t26-,29+,30-,32-,33+,34+/m0/s1
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 920n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA)

Bioorg Med Chem Lett 14: 1441-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.022
BindingDB Entry DOI: 10.7270/Q24Q7TD2
More data for this
Ligand-Target Pair