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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM208204'   
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 (HCV genotype 1a, isolate H))
BDBM208204
PNG
(US9265773, 149)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C31H22F3N5O5S/c1-35-31(40)27-19-10-18(23(38(2)45(3,41)42)12-25(19)44-29(27)16-8-7-15(32)9-21(16)34)30-36-13-26-28(37-30)24-11-17-20(33)5-4-6-22(17)39(24)14-43-26/h4-13H,14H2,1-3H3,(H,35,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208204
PNG
(US9265773, 149)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C31H22F3N5O5S/c1-35-31(40)27-19-10-18(23(38(2)45(3,41)42)12-25(19)44-29(27)16-8-7-15(32)9-21(16)34)30-36-13-26-28(37-30)24-11-17-20(33)5-4-6-22(17)39(24)14-43-26/h4-13H,14H2,1-3H3,(H,35,40)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair