BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50198324'   
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)
BDBM50198324
PNG
(CHEMBL3933212)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)O[C@H](C)C(F)(F)F)C2CCCCC2)C(=O)N[C@@]2(C[C@H]2C2CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C37H45ClF3N5O9S/c1-19(37(39,40)41)54-35(50)43-30(21-6-4-3-5-7-21)33(48)46-18-23(55-32-26-14-22(38)10-13-25(26)29(53-2)17-42-32)15-28(46)31(47)44-36(16-27(36)20-8-9-20)34(49)45-56(51,52)24-11-12-24/h10,13-14,17,19-21,23-24,27-28,30H,3-9,11-12,15-16,18H2,1-2H3,(H,43,50)(H,44,47)(H,45,49)/t19-,23-,27+,28+,30+,36-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/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)
BDBM50198324
PNG
(CHEMBL3933212)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)O[C@H](C)C(F)(F)F)C2CCCCC2)C(=O)N[C@@]2(C[C@H]2C2CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C37H45ClF3N5O9S/c1-19(37(39,40)41)54-35(50)43-30(21-6-4-3-5-7-21)33(48)46-18-23(55-32-26-14-22(38)10-13-25(26)29(53-2)17-42-32)15-28(46)31(47)44-36(16-27(36)20-8-9-20)34(49)45-56(51,52)24-11-12-24/h10,13-14,17,19-21,23-24,27-28,30H,3-9,11-12,15-16,18H2,1-2H3,(H,43,50)(H,44,47)(H,45,49)/t19-,23-,27+,28+,30+,36-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.5n/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