Found 7 hits of Enzyme Inhibition Constant Data 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 |
|---|
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM100761
(US8507683, 12)Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(cc(F)c1C)C(=O)NC1(COC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H23F3N4O4/c1-16-21(12-18(13-22(16)33)28(39)38-31(14-41-15-31)30-36-10-3-11-37-30)20-8-9-23-24(26(20)34)25(29(40)35-2)27(42-23)17-4-6-19(32)7-5-17/h3-13H,14-15H2,1-2H3,(H,35,40)(H,38,39) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
HCV NS5B enzyme assay. |
US Patent US8507683 (2013)
BindingDB Entry DOI: 10.7270/Q2C827XJ |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM100759
(US8507683, 10)Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(COC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H24F2N4O4/c1-17-4-5-19(28(38)37-31(15-40-16-31)30-35-12-3-13-36-30)14-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(41-23)18-6-8-20(32)9-7-18/h3-14H,15-16H2,1-2H3,(H,34,39)(H,37,38) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
HCV NS5B enzyme assay. |
US Patent US8507683 (2013)
BindingDB Entry DOI: 10.7270/Q2C827XJ |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM100758
(US8507683, 9)Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(cc(F)c1C)C(=O)NC1(COC1)c1ccccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H24F3N3O4/c1-17-22(13-19(14-23(17)34)30(39)38-32(15-41-16-32)25-5-3-4-12-37-25)21-10-11-24-26(28(21)35)27(31(40)36-2)29(42-24)18-6-8-20(33)9-7-18/h3-14H,15-16H2,1-2H3,(H,36,40)(H,38,39) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
HCV NS5B enzyme assay. |
US Patent US8507683 (2013)
BindingDB Entry DOI: 10.7270/Q2C827XJ |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM100757
(US8507683, 8)Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(C(=O)NC2(COC2)c2ccccn2)c(OC)cc1C)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N3O5/c1-18-14-25(41-3)23(31(39)38-33(16-42-17-33)26-6-4-5-13-37-26)15-22(18)21-11-12-24-27(29(21)35)28(32(40)36-2)30(43-24)19-7-9-20(34)10-8-19/h4-15H,16-17H2,1-3H3,(H,36,40)(H,38,39) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
HCV NS5B enzyme assay. |
US Patent US8507683 (2013)
BindingDB Entry DOI: 10.7270/Q2C827XJ |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM100760
(US8507683, 11)Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(C(=O)NC2(COC2)c2ncccn2)c(OC)cc1C)-c1ccc(F)cc1 Show InChI InChI=1S/C32H26F2N4O5/c1-17-13-24(41-3)22(29(39)38-32(15-42-16-32)31-36-11-4-12-37-31)14-21(17)20-9-10-23-25(27(20)34)26(30(40)35-2)28(43-23)18-5-7-19(33)8-6-18/h4-14H,15-16H2,1-3H3,(H,35,40)(H,38,39) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
HCV NS5B enzyme assay. |
US Patent US8507683 (2013)
BindingDB Entry DOI: 10.7270/Q2C827XJ |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM100756
(US8507683, 7)Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(COC1)c1ccccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H25F2N3O4/c1-18-6-7-20(30(38)37-32(16-40-17-32)25-5-3-4-14-36-25)15-23(18)22-12-13-24-26(28(22)34)27(31(39)35-2)29(41-24)19-8-10-21(33)11-9-19/h3-15H,16-17H2,1-2H3,(H,35,39)(H,37,38) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
HCV NS5B enzyme assay. |
US Patent US8507683 (2013)
BindingDB Entry DOI: 10.7270/Q2C827XJ |
More data for this
Ligand-Target Pair | |
RNA-directed RNA polymerase
(Hepatitis C virus) | BDBM100755
(US8507683, 6)Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(COC1)c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H26F2N2O4/c1-19-8-9-21(31(38)37-33(17-40-18-33)22-6-4-3-5-7-22)16-25(19)24-14-15-26-27(29(24)35)28(32(39)36-2)30(41-26)20-10-12-23(34)13-11-20/h3-16H,17-18H2,1-2H3,(H,36,39)(H,37,38) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
HCV NS5B enzyme assay. |
US Patent US8507683 (2013)
BindingDB Entry DOI: 10.7270/Q2C827XJ |
More data for this
Ligand-Target Pair | |
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