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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'pelosi' and Initial = 'la'   
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
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484982
PNG
(CHEMBL2017865)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ncccc5OCCn4c3c2)cc1
Show InChI InChI=1S/C37H38N4O5/c42-31(43)17-12-24-10-14-27(15-11-24)39-36(45)37(18-4-5-19-37)40-35(44)26-13-16-28-29(23-26)41-21-22-46-30-9-6-20-38-33(30)34(41)32(28)25-7-2-1-3-8-25/h6,9-17,20,23,25H,1-5,7-8,18-19,21-22H2,(H,39,45)(H,40,44)(H,42,43)/b17-12+
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UniProtKB/TrEMBL

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n/an/a>600n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484986
PNG
(CHEMBL2017863)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5cccnc5CCCn4c3c2)cc1
Show InChI InChI=1S/C38H40N4O4/c43-33(44)19-14-25-12-16-28(17-13-25)40-37(46)38(20-4-5-21-38)41-36(45)27-15-18-30-32(24-27)42-23-7-11-31-29(10-6-22-39-31)35(42)34(30)26-8-2-1-3-9-26/h6,10,12-19,22,24,26H,1-5,7-9,11,20-21,23H2,(H,40,46)(H,41,45)(H,43,44)/b19-14+
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n/an/a 1.73E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484981
PNG
(CHEMBL2017862)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5nccnc5CCCn4c3c2)cc1
Show InChI InChI=1S/C37H39N5O4/c43-31(44)17-12-24-10-14-27(15-11-24)40-36(46)37(18-4-5-19-37)41-35(45)26-13-16-28-30(23-26)42-22-6-9-29-33(39-21-20-38-29)34(42)32(28)25-7-2-1-3-8-25/h10-17,20-21,23,25H,1-9,18-19,22H2,(H,40,46)(H,41,45)(H,43,44)/b17-12+
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n/an/a 2.28E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484983
PNG
(CHEMBL2017866)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5cccnc5OCCn4c3c2)cc1
Show InChI InChI=1S/C37H38N4O5/c42-31(43)17-12-24-10-14-27(15-11-24)39-36(45)37(18-4-5-19-37)40-34(44)26-13-16-28-30(23-26)41-21-22-46-35-29(9-6-20-38-35)33(41)32(28)25-7-2-1-3-8-25/h6,9-17,20,23,25H,1-5,7-8,18-19,21-22H2,(H,39,45)(H,40,44)(H,42,43)/b17-12+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484985
PNG
(CHEMBL2017864)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ncccc5NC(=O)Cn4c3c2)cc1
Show InChI InChI=1S/C37H37N5O5/c43-30-22-42-29-21-25(13-16-27(29)32(24-7-2-1-3-8-24)34(42)33-28(40-30)9-6-20-38-33)35(46)41-37(18-4-5-19-37)36(47)39-26-14-10-23(11-15-26)12-17-31(44)45/h6,9-17,20-21,24H,1-5,7-8,18-19,22H2,(H,39,47)(H,40,43)(H,41,46)(H,44,45)/b17-12+
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UniProtKB/TrEMBL

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n/an/a 3.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484977
PNG
(CHEMBL2017856)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccccc5CCCn4c3c2)cc1
Show InChI InChI=1S/C39H41N3O4/c43-34(44)21-16-26-14-18-30(19-15-26)40-38(46)39(22-6-7-23-39)41-37(45)29-17-20-32-33(25-29)42-24-8-12-27-9-4-5-13-31(27)36(42)35(32)28-10-2-1-3-11-28/h4-5,9,13-21,25,28H,1-3,6-8,10-12,22-24H2,(H,40,46)(H,41,45)(H,43,44)/b21-16+
PDB

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n/an/a 3.39E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484984
PNG
(CHEMBL2017858)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccoc5CCCn4c3c2)cc1
Show InChI InChI=1S/C37H39N3O5/c41-32(42)17-12-24-10-14-27(15-11-24)38-36(44)37(19-4-5-20-37)39-35(43)26-13-16-28-30(23-26)40-21-6-9-31-29(18-22-45-31)34(40)33(28)25-7-2-1-3-8-25/h10-18,22-23,25H,1-9,19-21H2,(H,38,44)(H,39,43)(H,41,42)/b17-12+
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UniProtKB/TrEMBL

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n/an/a 3.72E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484980
PNG
(CHEMBL2017861)
Show SMILES Nc1nc-2c(CCCn3c-2c(C2CCCCC2)c2ccc(cc32)C(=O)NC2(CCCC2)C(=O)Nc2ccc(\C=C\C(O)=O)cc2)s1
Show InChI InChI=1S/C36H39N5O4S/c37-35-39-31-28(46-35)9-6-20-41-27-21-24(13-16-26(27)30(32(31)41)23-7-2-1-3-8-23)33(44)40-36(18-4-5-19-36)34(45)38-25-14-10-22(11-15-25)12-17-29(42)43/h10-17,21,23H,1-9,18-20H2,(H2,37,39)(H,38,45)(H,40,44)(H,42,43)/b17-12+
PDB

UniProtKB/TrEMBL

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n/an/a 4.84E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484979
PNG
(CHEMBL2017860)
Show SMILES Cc1nc-2c(CCCn3c-2c(C2CCCCC2)c2ccc(cc32)C(=O)NC2(CCCC2)C(=O)Nc2ccc(\C=C\C(O)=O)cc2)s1
Show InChI InChI=1S/C37H40N4O4S/c1-23-38-33-30(46-23)10-7-21-41-29-22-26(14-17-28(29)32(34(33)41)25-8-3-2-4-9-25)35(44)40-37(19-5-6-20-37)36(45)39-27-15-11-24(12-16-27)13-18-31(42)43/h11-18,22,25H,2-10,19-21H2,1H3,(H,39,45)(H,40,44)(H,42,43)/b18-13+
PDB

UniProtKB/TrEMBL

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n/an/a 5.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50484978
PNG
(CHEMBL2017857)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ncoc5CCCn4c3c2)cc1
Show InChI InChI=1S/C36H38N4O5/c41-30(42)17-12-23-10-14-26(15-11-23)38-35(44)36(18-4-5-19-36)39-34(43)25-13-16-27-28(21-25)40-20-6-9-29-32(37-22-45-29)33(40)31(27)24-7-2-1-3-8-24/h10-17,21-22,24H,1-9,18-20H2,(H,38,44)(H,39,43)(H,41,42)/b17-12+
PDB

UniProtKB/TrEMBL

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n/an/a 5.85E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair