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BDBM204785 US9243002, 83::US9243002, 86

SMILES: CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c4cccc(C#N)c4cc3c2n1)-c1ccc(F)cc1

InChI Key: InChIKey=DOYHTBMIICNEKT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 204785   
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
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM204785
PNG
(US9243002, 83 | US9243002, 86)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c4cccc(C#N)c4cc3c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H24FN5O4S/c1-37-34(41)31-25-15-24(28(39(2)45(3,42)43)17-30(25)44-33(31)20-7-10-22(35)11-8-20)26-12-9-19-13-14-40-27-6-4-5-21(18-36)23(27)16-29(40)32(19)38-26/h4-17H,1-3H3,(H,37,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.49n/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 ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204785
PNG
(US9243002, 83 | US9243002, 86)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c4cccc(C#N)c4cc3c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H24FN5O4S/c1-37-34(41)31-25-15-24(28(39(2)45(3,42)43)17-30(25)44-33(31)20-7-10-22(35)11-8-20)26-12-9-19-13-14-40-27-6-4-5-21(18-36)23(27)16-29(40)32(19)38-26/h4-17H,1-3H3,(H,37,41)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.05n/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 ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204785
PNG
(US9243002, 83 | US9243002, 86)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c4cccc(C#N)c4cc3c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H24FN5O4S/c1-37-34(41)31-25-15-24(28(39(2)45(3,42)43)17-30(25)44-33(31)20-7-10-22(35)11-8-20)26-12-9-19-13-14-40-27-6-4-5-21(18-36)23(27)16-29(40)32(19)38-26/h4-17H,1-3H3,(H,37,41)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.44n/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 ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM204785
PNG
(US9243002, 83 | US9243002, 86)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c4cccc(C#N)c4cc3c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H24FN5O4S/c1-37-34(41)31-25-15-24(28(39(2)45(3,42)43)17-30(25)44-33(31)20-7-10-22(35)11-8-20)26-12-9-19-13-14-40-27-6-4-5-21(18-36)23(27)16-29(40)32(19)38-26/h4-17H,1-3H3,(H,37,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.91n/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 ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair