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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'mayes' and Initial = 'ba'   
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 (Virus))
BDBM426312
PNG
(US10513534, Compound 401)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426318
PNG
(US10513534, Compound 406)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H17ClN5O12P3/c1-11(12)7(18)5(2-26-31(22,23)29-32(24,25)28-30(19,20)21)27-10(11)17-4-16-6-8(13)14-3-15-9(6)17/h3-5,7,10,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/p-1/t5-,7-,10-,11-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426317
PNG
(US10513534, Compound 405)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426315
PNG
(US10513534, Compound 403)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H18ClN4O12P3/c1-12(13)8(18)7(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(12)17-3-2-6-9(14)15-5-16-10(6)17/h2-3,5,7-8,11,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,14,15,16)(H2,19,20,21)/p-1/t7-,8-,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426319
PNG
(US10513534, Compound 407)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cc(F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H17ClFN4O12P3/c1-12(13)8(19)6(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(12)18-2-5(14)7-9(15)16-4-17-10(7)18/h2,4,6,8,11,19H,3H2,1H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/p-1/t6-,8-,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50497155
PNG
(CHEMBL3291362)
Show SMILES [H][C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1cnc3c1nc(N)[nH]c3=O)[C@H]2O |r,THB:33:32:3.2:19.20|
Show InChI InChI=1S/C11H16N5O14P3/c12-10-14-7-4(8(18)15-10)13-3-16(7)9-5-6(17)11(28-9,1-26-5)2-27-32(22,23)30-33(24,25)29-31(19,20)21/h3,5-6,9,17H,1-2H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,9-,11-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Idenix Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant


Bioorg Med Chem Lett 24: 2699-702 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.050
BindingDB Entry DOI: 10.7270/Q2TM7F3N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50497157
PNG
(CHEMBL3286448)
Show SMILES C[C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1cnc3c1nc(N)[nH]c3=O)[C@H]2O |r,THB:33:32:19.20:3.2|
Show InChI InChI=1S/C12H18N5O14P3/c1-11-8(19)12(2-27-11,3-28-33(23,24)31-34(25,26)30-32(20,21)22)29-9(11)17-4-14-5-6(17)15-10(13)16-7(5)18/h4,8-9,19H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,18)/t8-,9+,11+,12+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Idenix Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant


Bioorg Med Chem Lett 24: 2699-702 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.050
BindingDB Entry DOI: 10.7270/Q2TM7F3N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50497158
PNG
(CHEMBL3291360)
Show SMILES [H][C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1ccc(N)nc1=O)[C@H]2O |r,THB:30:29:2.3:20.19|
Show InChI InChI=1S/C10H16N3O14P3/c11-5-1-2-13(9(15)12-5)8-6-7(14)10(25-8,3-23-6)4-24-29(19,20)27-30(21,22)26-28(16,17)18/h1-2,6-8,14H,3-4H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t6-,7+,8-,10-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



Idenix Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant


Bioorg Med Chem Lett 24: 2699-702 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.050
BindingDB Entry DOI: 10.7270/Q2TM7F3N
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426314
PNG
(US10513534, Compound 402)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C10H17ClN3O13P3/c1-10(11)7(15)5(25-8(10)14-3-2-6(12)13-9(14)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/p-1/t5-,7-,8-,10-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426315
PNG
(US10513534, Compound 403)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H18ClN4O12P3/c1-12(13)8(18)7(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(12)17-3-2-6-9(14)15-5-16-10(6)17/h2-3,5,7-8,11,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,14,15,16)(H2,19,20,21)/p-1/t7-,8-,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426319
PNG
(US10513534, Compound 407)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cc(F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H17ClFN4O12P3/c1-12(13)8(19)6(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(12)18-2-5(14)7-9(15)16-4-17-10(7)18/h2,4,6,8,11,19H,3H2,1H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/p-1/t6-,8-,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426321
PNG
(US10513534, Compound 409)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cc(F)c(N)nc1=O |r|
Show InChI InChI=1S/C10H16ClFN3O13P3/c1-10(11)6(16)5(26-8(10)15-2-4(12)7(13)14-9(15)17)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,5-6,8,16H,3H2,1H3,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/p-1/t5-,6-,8-,10-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426322
PNG
(US10513534, Compound 410)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@@]2(C)Cl)c(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426312
PNG
(US10513534, Compound 401)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426318
PNG
(US10513534, Compound 406)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H17ClN5O12P3/c1-11(12)7(18)5(2-26-31(22,23)29-32(24,25)28-30(19,20)21)27-10(11)17-4-16-6-8(13)14-3-15-9(6)17/h3-5,7,10,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/p-1/t5-,7-,10-,11-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426323
PNG
(US10513534, Compound 411)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cc(F)c(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426320
PNG
(US10513534, Compound 408)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP([O-])([O-])=O)[C@@H](O)[C@@]2(C)Cl)c(=O)nc1N |r|
Show InChI InChI=1S/C11H19ClN3O13P3/c1-5-3-15(10(17)14-8(5)13)9-11(2,12)7(16)6(26-9)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-7,9,16H,4H2,1-2H3,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/p-2/t6-,7-,9-,11-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426317
PNG
(US10513534, Compound 405)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426316
PNG
(US10513534, Compound 404)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c(N)nc(Cl)nc12 |r|
Show InChI InChI=1S/C11H16Cl2N5O12P3/c1-11(13)6(19)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)18-3-15-5-7(14)16-10(12)17-8(5)18/h3-4,6,9,19H,2H2,1H3,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/p-2/t4-,6-,9-,11-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426316
PNG
(US10513534, Compound 404)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c(N)nc(Cl)nc12 |r|
Show InChI InChI=1S/C11H16Cl2N5O12P3/c1-11(13)6(19)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)18-3-15-5-7(14)16-10(12)17-8(5)18/h3-4,6,9,19H,2H2,1H3,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/p-2/t4-,6-,9-,11-/m1/s1
PDB

UniProtKB/SwissProt

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DrugBank
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UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50497159
PNG
(CHEMBL3291361)
Show SMILES [H][C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1ccc(=O)[nH]c1=O)[C@H]2O |r,THB:30:29:2.3:20.19|
Show InChI InChI=1S/C10H15N2O15P3/c13-5-1-2-12(9(15)11-5)8-6-7(14)10(25-8,3-23-6)4-24-29(19,20)27-30(21,22)26-28(16,17)18/h1-2,6-8,14H,3-4H2,(H,19,20)(H,21,22)(H,11,13,15)(H2,16,17,18)/t6-,7+,8-,10-/m1/s1
PDB

UniProtKB/TrEMBL

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UniChem
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PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Idenix Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant


Bioorg Med Chem Lett 24: 2699-702 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.050
BindingDB Entry DOI: 10.7270/Q2TM7F3N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50497154
PNG
(CHEMBL3286449)
Show SMILES [H][C@]12OC[C@@](O[C@H]1n1cnc3c1nc(N)[nH]c3=O)(C(C)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]2O |r,THB:34:33:2.3:6.5|
Show InChI InChI=1S/C12H18N5O14P3/c1-4(29-33(23,24)31-34(25,26)30-32(20,21)22)12-2-27-6(7(12)18)10(28-12)17-3-14-5-8(17)15-11(13)16-9(5)19/h3-4,6-7,10,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4?,6-,7+,10-,12-/m1/s1
PDB

UniProtKB/TrEMBL

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UniChem
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n/an/a 2.51E+4n/an/an/an/an/an/a



Idenix Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant


Bioorg Med Chem Lett 24: 2699-702 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.050
BindingDB Entry DOI: 10.7270/Q2TM7F3N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50497153
PNG
(CHEMBL3291359)
Show SMILES [H][C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1cnc3c(N)ncnc13)[C@H]2O |r,THB:32:31:2.3:20.19|
Show InChI InChI=1S/C11H16N5O13P3/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(17)11(27-10,1-25-6)2-26-31(21,22)29-32(23,24)28-30(18,19)20/h3-4,6-7,10,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t6-,7+,10-,11-/m1/s1
PDB

UniProtKB/TrEMBL

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UniChem
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n/an/a 8.63E+4n/an/an/an/an/an/a



Idenix Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant


Bioorg Med Chem Lett 24: 2699-702 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.050
BindingDB Entry DOI: 10.7270/Q2TM7F3N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50497156
PNG
(CHEMBL3291363)
Show SMILES [H][C@]12OCC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1cnc3c1nc(N)[nH]c3=O)[C@H]2O |r,THB:34:33:2.3.4:21.20|
Show InChI InChI=1S/C12H18N5O14P3/c13-11-15-8-5(9(19)16-11)14-4-17(8)10-6-7(18)12(29-10,1-2-27-6)3-28-33(23,24)31-34(25,26)30-32(20,21)22/h4,6-7,10,18H,1-3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t6-,7+,10-,12-/m1/s1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Idenix Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant


Bioorg Med Chem Lett 24: 2699-702 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.050
BindingDB Entry DOI: 10.7270/Q2TM7F3N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50497154
PNG
(CHEMBL3286449)
Show SMILES [H][C@]12OC[C@@](O[C@H]1n1cnc3c1nc(N)[nH]c3=O)(C(C)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]2O |r,THB:34:33:2.3:6.5|
Show InChI InChI=1S/C12H18N5O14P3/c1-4(29-33(23,24)31-34(25,26)30-32(20,21)22)12-2-27-6(7(12)18)10(28-12)17-3-14-5-8(17)15-11(13)16-9(5)19/h3-4,6-7,10,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4?,6-,7+,10-,12-/m1/s1
PDB

UniProtKB/TrEMBL

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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



Idenix Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant


Bioorg Med Chem Lett 24: 2699-702 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.050
BindingDB Entry DOI: 10.7270/Q2TM7F3N
More data for this
Ligand-Target Pair