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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: P26663   
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 [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))		BDBM249199
PNG
(US9457039, 22)
Show SMILES C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1cnc2c(N)ncnn12 |r|
Show InChI InChI=1S/C11H17N8O12P3/c1-11(17-18-13)7(20)6(3-28-33(24,25)31-34(26,27)30-32(21,22)23)29-8(11)5-2-14-10-9(12)15-4-16-19(5)10/h2,4,6-8,20H,3H2,1H3,(H,24,25)(H,26,27)(H2,12,15,16)(H2,21,22,23)/p-4/t6-,7-,8+,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 930n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...

US Patent US9457039 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6XCW
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))		BDBM249201
PNG
(US9457039, 24)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1ccc2c(N)ncnn12 |r|
Show InChI InChI=1S/C12H20N5O12P3/c1-12(14)9(18)8(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-10(12)6-2-3-7-11(13)15-5-16-17(6)7/h2-3,5,8-10,18H,4,14H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/p-4/t8-,9-,10+,12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...

US Patent US9457039 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6XCW
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))		BDBM249200
PNG
(US9457039, 23)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1cnc2c(N)ncnn12 |r|
Show InChI InChI=1S/C11H19N6O12P3/c1-11(13)7(18)6(3-26-31(22,23)29-32(24,25)28-30(19,20)21)27-8(11)5-2-14-10-9(12)15-4-16-17(5)10/h2,4,6-8,18H,3,13H2,1H3,(H,22,23)(H,24,25)(H2,12,15,16)(H2,19,20,21)/p-4/t6-,7-,8+,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...

US Patent US9457039 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6XCW
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))		BDBM241872
PNG
(US9416154, 15)
Show SMILES CC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](n2ccc3c(N)ncnc23)[C@](C)(F)[C@@H]1O |r|
Show InChI InChI=1S/C13H20FN4O12P3/c1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(19)13(2,14)12(27-8)18-4-3-7-10(15)16-5-17-11(7)18/h3-6,8-9,12,19H,1-2H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/t6?,8-,9-,12-,13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of the nucleoside triphosphate derivatives to inhibit the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase was measured in...

US Patent US9416154 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99PV
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))		BDBM241899
PNG
(US9416154, 37)
Show SMILES C[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](n2ccc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r|
Show InChI InChI=1S/C13H21N4O13P3/c1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(18)13(2,19)12(27-8)17-4-3-7-10(14)15-5-16-11(7)17/h3-6,8-9,12,18-19H,1-2H3,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t6-,8+,9+,12+,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 4.00E+4n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of the nucleoside triphosphate derivatives to inhibit the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase was measured in...

US Patent US9416154 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99PV
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))		BDBM249202
PNG
(US9457039, 25)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1cnn2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H19N6O12P3/c1-11(13)7(18)6(3-26-31(22,23)29-32(24,25)28-30(19,20)21)27-8(11)5-2-16-17-9(5)14-4-15-10(17)12/h2,4,6-8,18H,3,13H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t6-,7-,8+,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 5.10E+4n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...

US Patent US9457039 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6XCW
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))		BDBM241898
PNG
(US9416154, 36)
Show SMILES C[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](n2ccc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r|
Show InChI InChI=1S/C13H21N4O13P3/c1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(18)13(2,19)12(27-8)17-4-3-7-10(14)15-5-16-11(7)17/h3-6,8-9,12,18-19H,1-2H3,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t6-,8-,9-,12-,13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.50E+4n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of the nucleoside triphosphate derivatives to inhibit the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase was measured in...

US Patent US9416154 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99PV
More data for this
Ligand-Target Pair