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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NS3 serine protease (NS3)' and Ligand = 'BDBM208262'   
Target
(Institution)
LigandTarget
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
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM208262
PNG
(US9265773, 207)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(c(C(O)C(O)=O)c4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C34H26F2N4O8S/c1-37-33(42)26-19-13-18(23(39(2)49(3,45)46)14-25(19)48-32(26)16-7-9-17(35)10-8-16)21-11-12-24-29(38-21)30-28(31(41)34(43)44)27-20(36)5-4-6-22(27)40(30)15-47-24/h4-14,31,41H,15H2,1-3H3,(H,37,42)(H,43,44)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)

More data for this
Ligand-Target Pair