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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50452535'   
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)
BDBM50452535
PNG
(CHEMBL4205832)
Show SMILES COc1cc2ccc3cc2cc1CCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C38H50N4O9S/c1-7-26-20-38(26,34(45)41-52(47,48)28-14-15-28)40-32(43)29-21-37(50-6)22-42(29)33(44)31(36(2,3)4)39-35(46)51-16-10-8-9-11-24-17-25-18-27(37)13-12-23(25)19-30(24)49-5/h7,12-13,17-19,26,28-29,31H,1,8-11,14-16,20-22H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t26-,29+,31-,37+,38-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...


Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50452535
PNG
(CHEMBL4205832)
Show SMILES COc1cc2ccc3cc2cc1CCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C38H50N4O9S/c1-7-26-20-38(26,34(45)41-52(47,48)28-14-15-28)40-32(43)29-21-37(50-6)22-42(29)33(44)31(36(2,3)4)39-35(46)51-16-10-8-9-11-24-17-25-18-27(37)13-12-23(25)19-30(24)49-5/h7,12-13,17-19,26,28-29,31H,1,8-11,14-16,20-22H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t26-,29+,31-,37+,38-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...


Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair