BindingDB logo
myBDB logout

BDBM204712 US9243002, 52::US9243002, 53::US9243002, 54

SMILES: CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1

InChI Key: InChIKey=NWORADADRBBBRF-UHFFFAOYNA-N

Data: 6 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 6 hits for monomerid = 204712   
Target/Host
(Institution)
LigandTarget/Host
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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM204712
PNG
(US9243002, 52 | US9243002, 53 | US9243002, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C34H28F2N4O5S/c1-37-34(42)31-24-14-23(28(39(2)46(3,43)44)16-30(24)45-33(31)18-7-10-20(35)11-8-18)26-12-9-19-13-21(17-41)40-27-6-4-5-25(36)22(27)15-29(40)32(19)38-26/h4-12,14-16,21,41H,13,17H2,1-3H3,(H,37,42)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.35n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


Citation and Details
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM204712
PNG
(US9243002, 52 | US9243002, 53 | US9243002, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C34H28F2N4O5S/c1-37-34(42)31-24-14-23(28(39(2)46(3,43)44)16-30(24)45-33(31)18-7-10-20(35)11-8-18)26-12-9-19-13-21(17-41)40-27-6-4-5-25(36)22(27)15-29(40)32(19)38-26/h4-12,14-16,21,41H,13,17H2,1-3H3,(H,37,42)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.07n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


Citation and Details
More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM204712
PNG
(US9243002, 52 | US9243002, 53 | US9243002, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C34H28F2N4O5S/c1-37-34(42)31-24-14-23(28(39(2)46(3,43)44)16-30(24)45-33(31)18-7-10-20(35)11-8-18)26-12-9-19-13-21(17-41)40-27-6-4-5-25(36)22(27)15-29(40)32(19)38-26/h4-12,14-16,21,41H,13,17H2,1-3H3,(H,37,42)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.25n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


Citation and Details
More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM204712
PNG
(US9243002, 52 | US9243002, 53 | US9243002, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C34H28F2N4O5S/c1-37-34(42)31-24-14-23(28(39(2)46(3,43)44)16-30(24)45-33(31)18-7-10-20(35)11-8-18)26-12-9-19-13-21(17-41)40-27-6-4-5-25(36)22(27)15-29(40)32(19)38-26/h4-12,14-16,21,41H,13,17H2,1-3H3,(H,37,42)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.32n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


Citation and Details
More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM204712
PNG
(US9243002, 52 | US9243002, 53 | US9243002, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C34H28F2N4O5S/c1-37-34(42)31-24-14-23(28(39(2)46(3,43)44)16-30(24)45-33(31)18-7-10-20(35)11-8-18)26-12-9-19-13-21(17-41)40-27-6-4-5-25(36)22(27)15-29(40)32(19)38-26/h4-12,14-16,21,41H,13,17H2,1-3H3,(H,37,42)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.03n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


Citation and Details
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM204712
PNG
(US9243002, 52 | US9243002, 53 | US9243002, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C34H28F2N4O5S/c1-37-34(42)31-24-14-23(28(39(2)46(3,43)44)16-30(24)45-33(31)18-7-10-20(35)11-8-18)26-12-9-19-13-21(17-41)40-27-6-4-5-25(36)22(27)15-29(40)32(19)38-26/h4-12,14-16,21,41H,13,17H2,1-3H3,(H,37,42)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


Citation and Details
More data for this
Ligand-Target Pair