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BDBM208066 US9265773, 9

InChI string: InChI=1/C32H26FN5O5S/c1-17-38-23-8-6-5-7-19(23)13-25(38)29-27(42-17)16-35-31(36-29)21-14-22-26(15-24(21)37(3)44(4,40)41)43-30(28(22)32(39)34-2)18-9-11-20(33)12-10-18/h5-17H,1-4H3,(H,34,39)

SMILES: CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OC(C)n3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1

InChI Key: InChIKey=YWCULRQKTZPQGW-UHFFFAOYNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 208066   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM208066
PNG
(US9265773, 9)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OC(C)n3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C32H26FN5O5S/c1-17-38-23-8-6-5-7-19(23)13-25(38)29-27(42-17)16-35-31(36-29)21-14-22-26(15-24(21)37(3)44(4,40)41)43-30(28(22)32(39)34-2)18-9-11-20(33)12-10-18/h5-17H,1-4H3,(H,34,39)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 1.90n/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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM208066
PNG
(US9265773, 9)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OC(C)n3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C32H26FN5O5S/c1-17-38-23-8-6-5-7-19(23)13-25(38)29-27(42-17)16-35-31(36-29)21-14-22-26(15-24(21)37(3)44(4,40)41)43-30(28(22)32(39)34-2)18-9-11-20(33)12-10-18/h5-17H,1-4H3,(H,34,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 1.10n/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