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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hepatitis C virus serine protease, NS3/NS4A' and Ligand = 'BDBM50137965'   
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
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50137965
PNG
(1-((2S,4R)-1-((S)-2-((S)-2-acetamido-2-cyclohexyla...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(O)=O)Oc1cc(nc2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C39H47N5O7/c1-23(2)33(42-36(47)34(40-24(3)45)26-14-8-5-9-15-26)37(48)44-22-27(20-31(44)35(46)43-39(18-19-39)38(49)50)51-32-21-30(25-12-6-4-7-13-25)41-29-17-11-10-16-28(29)32/h4,6-7,10-13,16-17,21,23,26-27,31,33-34H,5,8-9,14-15,18-20,22H2,1-3H3,(H,40,45)(H,42,47)(H,43,46)(H,49,50)/t27-,31+,33+,34+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus NS3 protease


J Med Chem 47: 123-32 (2003)


Article DOI: 10.1021/jm0303002
BindingDB Entry DOI: 10.7270/Q2Q52P2S
More data for this
Ligand-Target Pair