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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'cauvin' and Initial = 'c'   
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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50042235
PNG
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
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2n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50119657
PNG
(8-Butyl-7-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)CC1=O
Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-23(33)17-26(14-6-7-15-26)25(34)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)
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14n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50089990
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)
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25n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50119658
PNG
(7-Butyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O
Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-25(34)26(14-6-7-15-26)17-23(33)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)
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80n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184349
PNG
((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)
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n/an/a 17n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium


Bioorg Med Chem Lett 19: 4806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.044
BindingDB Entry DOI: 10.7270/Q2862K73
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50480767
PNG
(CHEMBL562899)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C20H13BrFNO5/c21-12-3-6-16-14(7-12)19(26)15(17(24)8-18(25)20(27)28)10-23(16)9-11-1-4-13(22)5-2-11/h1-7,10H,8-9H2,(H,27,28)
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n/an/a 30n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium


Bioorg Med Chem Lett 19: 4806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.044
BindingDB Entry DOI: 10.7270/Q2862K73
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483782
PNG
(CHEMBL1770431)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C20H13BrFNO5/c21-12-3-6-16-14(7-12)19(26)15(17(24)8-18(25)20(27)28)10-23(16)9-11-1-4-13(22)5-2-11/h1-8,10,25H,9H2,(H,27,28)/b18-8-
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n/an/a 30n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483781
PNG
(CHEMBL1770430)
Show SMILES OC(=O)\C=C\c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C23H16FNO7/c24-15-5-1-14(2-6-15)11-25-12-17(19(26)10-20(27)23(31)32)22(30)16-9-13(3-7-18(16)25)4-8-21(28)29/h1-10,12,27H,11H2,(H,28,29)(H,31,32)/b8-4+,20-10-
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n/an/a 30n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483779
PNG
(CHEMBL1770428)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(F)cc3)cc2c1=O
Show InChI InChI=1S/C27H19F2NO6/c28-18-5-1-16(2-6-18)13-30-14-22(24(31)12-25(32)27(34)35)26(33)21-11-20(9-10-23(21)30)36-15-17-3-7-19(29)8-4-17/h1-12,14,32H,13,15H2,(H,34,35)/b25-12-
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n/an/a 50n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50480768
PNG
(CHEMBL559753)
Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C22H17BrFNO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-6-15(24)7-4-13)18-8-5-14(23)9-16(18)21(17)28/h3-9,12H,2,10-11H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium


Bioorg Med Chem Lett 19: 4806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.044
BindingDB Entry DOI: 10.7270/Q2862K73
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184349
PNG
((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)
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n/an/a 440n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium


Bioorg Med Chem Lett 19: 4806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.044
BindingDB Entry DOI: 10.7270/Q2862K73
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50480767
PNG
(CHEMBL562899)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C20H13BrFNO5/c21-12-3-6-16-14(7-12)19(26)15(17(24)8-18(25)20(27)28)10-23(16)9-11-1-4-13(22)5-2-11/h1-7,10H,8-9H2,(H,27,28)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium


Bioorg Med Chem Lett 19: 4806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.044
BindingDB Entry DOI: 10.7270/Q2862K73
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483782
PNG
(CHEMBL1770431)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C20H13BrFNO5/c21-12-3-6-16-14(7-12)19(26)15(17(24)8-18(25)20(27)28)10-23(16)9-11-1-4-13(22)5-2-11/h1-8,10,25H,9H2,(H,27,28)/b18-8-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483779
PNG
(CHEMBL1770428)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(F)cc3)cc2c1=O
Show InChI InChI=1S/C27H19F2NO6/c28-18-5-1-16(2-6-18)13-30-14-22(24(31)12-25(32)27(34)35)26(33)21-11-20(9-10-23(21)30)36-15-17-3-7-19(29)8-4-17/h1-12,14,32H,13,15H2,(H,34,35)/b25-12-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483781
PNG
(CHEMBL1770430)
Show SMILES OC(=O)\C=C\c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C23H16FNO7/c24-15-5-1-14(2-6-15)11-25-12-17(19(26)10-20(27)23(31)32)22(30)16-9-13(3-7-18(16)25)4-8-21(28)29/h1-10,12,27H,11H2,(H,28,29)(H,31,32)/b8-4+,20-10-
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n/an/a 8.00E+3n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50480768
PNG
(CHEMBL559753)
Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C22H17BrFNO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-6-15(24)7-4-13)18-8-5-14(23)9-16(18)21(17)28/h3-9,12H,2,10-11H2,1H3
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n/an/a 7.80E+4n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium


Bioorg Med Chem Lett 19: 4806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.044
BindingDB Entry DOI: 10.7270/Q2862K73
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483778
PNG
(CHEMBL1770427)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(F)cc3)cc2c1=O
Show InChI InChI=1S/C29H23F2NO6/c1-2-37-29(36)27(34)14-26(33)24-16-32(15-18-3-7-20(30)8-4-18)25-12-11-22(13-23(25)28(24)35)38-17-19-5-9-21(31)10-6-19/h3-14,16,34H,2,15,17H2,1H3/b27-14-
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n/an/a>3.00E+5n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483780
PNG
(CHEMBL1770429)
Show SMILES CCOC(=O)\C=C\c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(=O)OCC)c(=O)c2c1
Show InChI InChI=1S/C27H24FNO7/c1-3-35-25(32)12-8-17-7-11-22-20(13-17)26(33)21(23(30)14-24(31)27(34)36-4-2)16-29(22)15-18-5-9-19(28)10-6-18/h5-14,16,31H,3-4,15H2,1-2H3/b12-8+,24-14-
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n/an/a>3.00E+5n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483778
PNG
(CHEMBL1770427)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccc(F)cc3)cc2c1=O
Show InChI InChI=1S/C29H23F2NO6/c1-2-37-29(36)27(34)14-26(33)24-16-32(15-18-3-7-20(30)8-4-18)25-12-11-22(13-23(25)28(24)35)38-17-19-5-9-21(31)10-6-19/h3-14,16,34H,2,15,17H2,1H3/b27-14-
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n/an/a>3.00E+5n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483780
PNG
(CHEMBL1770429)
Show SMILES CCOC(=O)\C=C\c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(=O)OCC)c(=O)c2c1
Show InChI InChI=1S/C27H24FNO7/c1-3-35-25(32)12-8-17-7-11-22-20(13-17)26(33)21(23(30)14-24(31)27(34)36-4-2)16-29(22)15-18-5-9-19(28)10-6-18/h5-14,16,31H,3-4,15H2,1-2H3/b12-8+,24-14-
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de la Paix (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity after 1 hr by gel based assay in presence of magnesium


Eur J Med Chem 46: 1749-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.028
BindingDB Entry DOI: 10.7270/Q29S1TVV
More data for this
Ligand-Target Pair