Found 71 hits with Last Name = 'standring' and Initial = 'd' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Genome polyprotein
(Hepatitis C virus) | BDBM50142916
((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
IDENIX Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay |
Bioorg Med Chem Lett 24: 4444-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50023510
(CHEMBL3326826)Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:47,@:7| Show InChI InChI=1S/C37H46N6O7S2/c1-22(2)29-21-51-32(39-29)28-18-31(26-12-11-25(49-5)17-27(26)38-28)50-20-24-16-30-33(44)42(4)15-9-7-6-8-10-23-19-37(23,40-35(46)43(24)30)34(45)41-52(47,48)36(3)13-14-36/h8,10-12,17-18,21-24,30H,6-7,9,13-16,19-20H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24-,30-,37-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
IDENIX Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay |
Bioorg Med Chem Lett 24: 4444-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50023579
(CHEMBL3326830)Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(Cl)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
IDENIX Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay |
Bioorg Med Chem Lett 24: 4444-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50023508
(CHEMBL3326539)Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7| Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-35(44)41-25(18-31(41)33(40)42)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,44)(H,39,43)/b12-8-/t24-,25+,31+,36-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
IDENIX Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay |
Bioorg Med Chem Lett 24: 4444-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534627
(CHEMBL4527971)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H26N5O4PS/c1-15-5-10-22(16(2)11-15)37(35,36-4)31-21-13-23(38-26(21)27(33)34)19-8-6-18(7-9-19)20-14-25-29-17(3)12-24(28)32(25)30-20/h5-14H,28H2,1-4H3,(H,31,35)(H,33,34) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534648
(CHEMBL4463284)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ncccc2o1)c1ccc(C)cc1C Show InChI InChI=1S/C27H23N2O5PS/c1-16-6-11-24(17(2)13-16)35(32,33-3)29-21-15-25(36-26(21)27(30)31)19-9-7-18(8-10-19)23-14-20-22(34-23)5-4-12-28-20/h4-15H,1-3H3,(H,29,32)(H,30,31) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534659
(CHEMBL4464159)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ccccc2o1)c1ccc(C)cc1C Show InChI InChI=1S/C28H24NO5PS/c1-17-8-13-25(18(2)14-17)35(32,33-3)29-22-16-26(36-27(22)28(30)31)20-11-9-19(10-12-20)24-15-21-6-4-5-7-23(21)34-24/h4-16H,1-3H3,(H,29,32)(H,30,31) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50023578
(CHEMBL3326829)Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(C)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C38H48N6O7S2/c1-22(2)28-21-52-33(40-28)27-18-31(26-12-13-30(50-6)23(3)32(26)39-27)51-20-25-17-29-34(45)43(5)16-10-8-7-9-11-24-19-38(24,41-36(47)44(25)29)35(46)42-53(48,49)37(4)14-15-37/h9,11-13,18,21-22,24-25,29H,7-8,10,14-17,19-20H2,1-6H3,(H,41,47)(H,42,46)/b11-9-/t24-,25-,29-,38-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
IDENIX Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay |
Bioorg Med Chem Lett 24: 4444-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534649
(CHEMBL4451988)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)ccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H25N4O4PS/c1-16-5-10-23(17(2)13-16)36(34,35-4)30-22-14-24(37-26(22)27(32)33)20-8-6-19(7-9-20)21-15-25-28-18(3)11-12-31(25)29-21/h5-15H,1-4H3,(H,30,34)(H,32,33) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534627
(CHEMBL4527971)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H26N5O4PS/c1-15-5-10-22(16(2)11-15)37(35,36-4)31-21-13-23(38-26(21)27(33)34)19-8-6-18(7-9-19)20-14-25-29-17(3)12-24(28)32(25)30-20/h5-14H,28H2,1-4H3,(H,31,35)(H,33,34) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534646
(CHEMBL4567705)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)C#Cc1ccsc1)c1ccc(C)cc1C Show InChI InChI=1S/C26H22NO4PS2/c1-17-4-11-23(18(2)14-17)32(30,31-3)27-22-15-24(34-25(22)26(28)29)21-9-7-19(8-10-21)5-6-20-12-13-33-16-20/h4,7-16H,1-3H3,(H,27,30)(H,28,29) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534628
(CHEMBL4441238)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534628
(CHEMBL4441238)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534629
(CHEMBL4444480)Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534647
(CHEMBL4522572)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ccccc2s1)c1ccc(C)cc1C Show InChI InChI=1S/C28H24NO4PS2/c1-17-8-13-23(18(2)14-17)34(32,33-3)29-22-16-26(36-27(22)28(30)31)20-11-9-19(10-12-20)25-15-21-6-4-5-7-24(21)35-25/h4-16H,1-3H3,(H,29,32)(H,30,31) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534630
(CHEMBL4545438)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50023509
(CHEMBL3326540)Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(F)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
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| Article
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
IDENIX Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay |
Bioorg Med Chem Lett 24: 4444-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534650
(CHEMBL4593826)Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4PS/c1-14-4-9-19(15(2)12-14)36(34,35-3)30-23-22(25(32)33)37-24(28-23)17-7-5-16(6-8-17)18-13-21-27-11-10-20(26)31(21)29-18/h4-13H,26H2,1-3H3,(H,30,34)(H,32,33) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534628
(CHEMBL4441238)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 18.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534635
(CHEMBL4464724)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C20H19ClNO4PS/c1-12-4-9-17(13(2)10-12)27(25,26-3)22-16-11-18(28-19(16)20(23)24)14-5-7-15(21)8-6-14/h4-11H,1-3H3,(H,22,25)(H,23,24) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50534629
(CHEMBL4444480)Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534652
(CHEMBL4471005)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)ccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4P/c1-16-5-10-23(17(2)13-16)37(35,36-4)30-25-21(26(33)34)15-32(29-25)20-8-6-19(7-9-20)22-14-24-27-18(3)11-12-31(24)28-22/h5-15H,1-4H3,(H,33,34)(H,29,30,35) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534655
(CHEMBL4441399)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(Cl)cc1C Show InChI InChI=1S/C19H16Cl2NO4PS/c1-11-9-14(21)7-8-16(11)27(25,26-2)22-15-10-17(28-18(15)19(23)24)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,25)(H,23,24) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50534628
(CHEMBL4441238)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50534651
(CHEMBL4548240)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2ncccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4P/c1-16-5-10-22(17(2)13-16)36(34,35-3)29-24-20(25(32)33)15-31(28-24)19-8-6-18(7-9-19)21-14-23-26-11-4-12-30(23)27-21/h4-15H,1-3H3,(H,32,33)(H,28,29,34) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM35554
(thiophene scaffold, 21)Show SMILES CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)-c1ccccc1 |r,wU:9.9,wD:6.5,(-.82,9.12,;-1.74,7.89,;-3.27,8.07,;-1.13,6.48,;.41,6.48,;1.18,5.14,;1.18,7.81,;2.71,7.87,;3.43,9.24,;2.6,10.54,;3.37,11.87,;1.06,10.47,;.35,9.11,;-2.06,5.24,;-3.6,5.26,;-4.09,3.8,;-2.86,2.88,;-1.6,3.77,;-.14,3.28,;1.02,4.29,;.16,1.77,;-5.43,3.03,;-6.76,3.8,;-8.09,3.03,;-8.09,1.49,;-6.76,.72,;-5.43,1.49,)| Show InChI InChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)/t15-,17- | PDB
UniProtKB/SwissProt
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DrugBank
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| MMDB
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Patents
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| PDB
Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Genome polyprotein
(Hepatitis C virus) | BDBM50023507
(CHEMBL3326538)Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7| Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-35(44)41-25(18-31(41)33(40)42)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,44)(H,39,43)/b12-8-/t24-,25-,31-,36-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
IDENIX Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay |
Bioorg Med Chem Lett 24: 4444-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534645
(CHEMBL4563132)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)C#CC1CC1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24NO4PS/c1-16-4-13-22(17(2)14-16)31(29,30-3)26-21-15-23(32-24(21)25(27)28)20-11-9-19(10-12-20)8-7-18-5-6-18/h4,9-15,18H,5-6H2,1-3H3,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50534650
(CHEMBL4593826)Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4PS/c1-14-4-9-19(15(2)12-14)36(34,35-3)30-23-22(25(32)33)37-24(28-23)17-7-5-16(6-8-17)18-13-21-27-11-10-20(26)31(21)29-18/h4-13H,26H2,1-3H3,(H,30,34)(H,32,33) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534632
(CHEMBL4578396)Show SMILES COP(=O)(N(C)c1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C21H21ClNO4PS/c1-13-5-10-18(14(2)11-13)28(26,27-4)23(3)17-12-19(29-20(17)21(24)25)15-6-8-16(22)9-7-15/h5-12H,1-4H3,(H,24,25) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50534630
(CHEMBL4545438)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534637
(CHEMBL4459000)Show SMILES CCOP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(Cl)cc1C Show InChI InChI=1S/C20H18Cl2NO4PS/c1-3-27-28(26,17-9-8-15(22)10-12(17)2)23-16-11-18(29-19(16)20(24)25)13-4-6-14(21)7-5-13/h4-11H,3H2,1-2H3,(H,23,26)(H,24,25) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534658
(CHEMBL4575406)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(F)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C20H19FNO4PS/c1-12-4-9-17(13(2)10-12)27(25,26-3)22-16-11-18(28-19(16)20(23)24)14-5-7-15(21)8-6-14/h4-11H,1-3H3,(H,22,25)(H,23,24) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 3a (isolate NZL1) (HCV)) | BDBM50534629
(CHEMBL4444480)Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534642
(CHEMBL4584994)Show SMILES COCCOP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C22H23ClNO5PS/c1-14-4-9-19(15(2)12-14)30(27,29-11-10-28-3)24-18-13-20(31-21(18)22(25)26)16-5-7-17(23)8-6-16/h4-9,12-13H,10-11H2,1-3H3,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534639
(CHEMBL4567123)Show SMILES CCCOP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C22H23ClNO4PS/c1-4-11-28-29(27,19-10-5-14(2)12-15(19)3)24-18-13-20(30-21(18)22(25)26)16-6-8-17(23)9-7-16/h5-10,12-13H,4,11H2,1-3H3,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534657
(CHEMBL4434914)Show SMILES Cc1ccc(c(C)c1)P(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)OCC1CCOCC1 Show InChI InChI=1S/C25H27ClNO5PS/c1-16-3-8-22(17(2)13-16)33(30,32-15-18-9-11-31-12-10-18)27-21-14-23(34-24(21)25(28)29)19-4-6-20(26)7-5-19/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,27,30)(H,28,29) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 3a (isolate NZL1) (HCV)) | BDBM50534650
(CHEMBL4593826)Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4PS/c1-14-4-9-19(15(2)12-14)36(34,35-3)30-23-22(25(32)33)37-24(28-23)17-7-5-16(6-8-17)18-13-21-27-11-10-20(26)31(21)29-18/h4-13H,26H2,1-3H3,(H,30,34)(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534631
(CHEMBL4463960)Show SMILES CCCCOP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C23H25ClNO4PS/c1-4-5-12-29-30(28,20-11-6-15(2)13-16(20)3)25-19-14-21(31-22(19)23(26)27)17-7-9-18(24)10-8-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,25,28)(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 3a (isolate NZL1) (HCV)) | BDBM50534628
(CHEMBL4441238)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534656
(CHEMBL4448379)Show SMILES CC(C)OP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C22H23ClNO4PS/c1-13(2)28-29(27,19-10-5-14(3)11-15(19)4)24-18-12-20(30-21(18)22(25)26)16-6-8-17(23)9-7-16/h5-13H,1-4H3,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50534652
(CHEMBL4471005)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)ccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4P/c1-16-5-10-23(17(2)13-16)37(35,36-4)30-25-21(26(33)34)15-32(29-25)20-8-6-19(7-9-20)22-14-24-27-18(3)11-12-31(24)28-22/h5-15H,1-4H3,(H,33,34)(H,29,30,35) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534640
(CHEMBL4529821)Show SMILES CC(C)COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C23H25ClNO4PS/c1-14(2)13-29-30(28,20-10-5-15(3)11-16(20)4)25-19-12-21(31-22(19)23(26)27)17-6-8-18(24)9-7-17/h5-12,14H,13H2,1-4H3,(H,25,28)(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50534628
(CHEMBL4441238)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 2a JFH NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM50534629
(CHEMBL4444480)Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 2a JFH NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50023581
(CHEMBL3326537)Show SMILES [H][C@]12C[C@@]1(NC(=O)[C@@]1([H])C[C@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)N1C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45| Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-33(42)31-18-25(41(31)35(40)44)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,42)(H,39,43)/b12-8-/t24-,25+,31+,36-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 278 | n/a | n/a | n/a | n/a | n/a | n/a |
IDENIX Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay |
Bioorg Med Chem Lett 24: 4444-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534641
(CHEMBL4465164)Show SMILES CC(C)CCOP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C24H27ClNO4PS/c1-15(2)11-12-30-31(29,21-10-5-16(3)13-17(21)4)26-20-14-22(32-23(20)24(27)28)18-6-8-19(25)9-7-18/h5-10,13-15H,11-12H2,1-4H3,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 298 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534636
(CHEMBL4474860)Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C18H13Cl2FNO4PS/c1-26-27(25,15-7-6-12(20)8-13(15)21)22-14-9-16(28-17(14)18(23)24)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,22,25)(H,23,24) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 298 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM50534643
(CHEMBL4454342)Show SMILES Cc1ccc(c(C)c1)P(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)OCCc1ccc(F)cc1 Show InChI InChI=1S/C27H24ClFNO4PS/c1-17-3-12-24(18(2)15-17)35(33,34-14-13-19-4-10-22(29)11-5-19)30-23-16-25(36-26(23)27(31)32)20-6-8-21(28)9-7-20/h3-12,15-16H,13-14H2,1-2H3,(H,30,33)(H,31,32) | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus genotype 3a (isolate NZL1) (HCV)) | BDBM50534630
(CHEMBL4545438)Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company
Curated by ChEMBL
| Assay Description
Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase |
Bioorg Med Chem Lett 26: 4536-4541 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.042
BindingDB Entry DOI: 10.7270/Q23F4T5Q |
More data for this
Ligand-Target Pair | |
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