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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'touati' and Initial = 'n'   
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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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n/an/a 330n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50272731
PNG
(2-(3-Benzoyl-phenyl)-propionic acid 2-nitrooxy-eth...)
Show SMILES CC(C(=O)OCCO[N+]([O-])=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H17NO6/c1-13(18(21)24-10-11-25-19(22)23)15-8-5-9-16(12-15)17(20)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50272677
PNG
(2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid...)
Show SMILES CC(C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c1ccc(cc1)C(=O)c1cccs1
Show InChI InChI=1S/C17H16N2O9S/c1-11(17(21)26-9-14(28-19(24)25)10-27-18(22)23)12-4-6-13(7-5-12)16(20)15-3-2-8-29-15/h2-8,11,14H,9-10H2,1H3
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n/an/a 480n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482354
PNG
(CHEMBL1173780)
Show SMILES Oc1cc(cc(O)c1O)-c1ccc2cc(O)c(O)c(O)c2c1
Show InChI InChI=1S/C16H12O6/c17-11-5-9(6-12(18)15(11)21)7-1-2-8-4-13(19)16(22)14(20)10(8)3-7/h1-6,17-22H
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n/an/a 500n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50090676
PNG
((+-)-2-(p-(2-thenoyl)phenyl)propionic acid | 2-(4-...)
Show SMILES CC(C(O)=O)c1ccc(cc1)C(=O)c1cccs1
Show InChI InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
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n/an/a 560n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50272676
PNG
(2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid...)
Show SMILES CC(COC(=O)C(C)c1ccc(cc1)C(=O)c1cccs1)O[N+]([O-])=O
Show InChI InChI=1S/C17H17NO6S/c1-11(24-18(21)22)10-23-17(20)12(2)13-5-7-14(8-6-13)16(19)15-4-3-9-25-15/h3-9,11-12H,10H2,1-2H3
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n/an/a 570n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50272675
PNG
(2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid...)
Show SMILES CC(C(=O)OCCO[N+]([O-])=O)c1ccc(cc1)C(=O)c1cccs1
Show InChI InChI=1S/C16H15NO6S/c1-11(16(19)22-8-9-23-17(20)21)12-4-6-13(7-5-12)15(18)14-3-2-10-24-14/h2-7,10-11H,8-9H2,1H3
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n/an/a 580n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50272733
PNG
(2-(3-Benzoyl-phenyl)-propionic acid 2,3-bis-nitroo...)
Show SMILES CC(C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H18N2O9/c1-13(19(23)28-11-17(30-21(26)27)12-29-20(24)25)15-8-5-9-16(10-15)18(22)14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3
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n/an/a 580n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50272732
PNG
(2-(3-Benzoyl-phenyl)-propionic acid 2-nitrooxy-pro...)
Show SMILES CC(COC(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)O[N+]([O-])=O
Show InChI InChI=1S/C19H19NO6/c1-13(26-20(23)24)12-25-19(22)14(2)16-9-6-10-17(11-16)18(21)15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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n/an/a 690n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50272732
PNG
(2-(3-Benzoyl-phenyl)-propionic acid 2-nitrooxy-pro...)
Show SMILES CC(COC(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)O[N+]([O-])=O
Show InChI InChI=1S/C19H19NO6/c1-13(26-20(23)24)12-25-19(22)14(2)16-9-6-10-17(11-16)18(21)15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3
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n/an/a 730n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50272733
PNG
(2-(3-Benzoyl-phenyl)-propionic acid 2,3-bis-nitroo...)
Show SMILES CC(C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H18N2O9/c1-13(19(23)28-11-17(30-21(26)27)12-29-20(24)25)15-8-5-9-16(10-15)18(22)14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3
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n/an/a 740n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50272731
PNG
(2-(3-Benzoyl-phenyl)-propionic acid 2-nitrooxy-eth...)
Show SMILES CC(C(=O)OCCO[N+]([O-])=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H17NO6/c1-13(18(21)24-10-11-25-19(22)23)15-8-5-9-16(12-15)17(20)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3
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n/an/a 770n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482355
PNG
(CHEMBL1170880)
Show SMILES OC1=C(Oc2c(O)cc(cc2O)-c2ccc3cc(O)c(O)c(O)c3c2)c2ccc(cc2C(=O)C1=O)-c1cc(O)c(O)c(O)c1 |c:1|
Show InChI InChI=1S/C32H20O12/c33-20-8-15(9-21(34)27(20)40)13-3-4-17-19(6-13)26(39)29(42)30(43)31(17)44-32-23(36)10-16(11-24(32)37)12-1-2-14-7-22(35)28(41)25(38)18(14)5-12/h1-11,33-38,40-41,43H
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n/an/a 850n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482361
PNG
(CHEMBL1173779)
Show SMILES Oc1cccc(c1O)-c1ccc2c(O)c(O)ccc2c1
Show InChI InChI=1S/C16H12O4/c17-13-3-1-2-11(15(13)19)9-4-6-12-10(8-9)5-7-14(18)16(12)20/h1-8,17-20H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50107095
PNG
(6-(3,4-Dihydroxy-phenyl)-naphthalene-2,3-diol | 6-...)
Show SMILES Oc1ccc(cc1O)-c1ccc2cc(O)c(O)cc2c1
Show InChI InChI=1S/C16H12O4/c17-13-4-3-10(6-14(13)18)9-1-2-11-7-15(19)16(20)8-12(11)5-9/h1-8,17-20H
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482362
PNG
(CHEMBL1173010)
Show SMILES Oc1ccc(cc1O)-c1ccc2c(O)c(O)ccc2c1
Show InChI InChI=1S/C16H12O4/c17-13-5-2-10(8-15(13)19)9-1-4-12-11(7-9)3-6-14(18)16(12)20/h1-8,17-20H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50272677
PNG
(2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid...)
Show SMILES CC(C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c1ccc(cc1)C(=O)c1cccs1
Show InChI InChI=1S/C17H16N2O9S/c1-11(17(21)26-9-14(28-19(24)25)10-27-18(22)23)12-4-6-13(7-5-12)16(20)15-3-2-8-29-15/h2-8,11,14H,9-10H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50090676
PNG
((+-)-2-(p-(2-thenoyl)phenyl)propionic acid | 2-(4-...)
Show SMILES CC(C(O)=O)c1ccc(cc1)C(=O)c1cccs1
Show InChI InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50272676
PNG
(2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid...)
Show SMILES CC(COC(=O)C(C)c1ccc(cc1)C(=O)c1cccs1)O[N+]([O-])=O
Show InChI InChI=1S/C17H17NO6S/c1-11(24-18(21)22)10-23-17(20)12(2)13-5-7-14(8-6-13)16(19)15-4-3-9-25-15/h3-9,11-12H,10H2,1-2H3
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n/an/a 4.56E+3n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482364
PNG
(CHEMBL1173013)
Show SMILES Oc1cccc(c1)-c1ccc2c(O)c(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-13-3-1-2-10(9-13)11-4-6-14-12(8-11)5-7-15(18)16(14)19/h1-9,17-19H
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n/an/a 4.80E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50272675
PNG
(2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid...)
Show SMILES CC(C(=O)OCCO[N+]([O-])=O)c1ccc(cc1)C(=O)c1cccs1
Show InChI InChI=1S/C16H15NO6S/c1-11(16(19)22-8-9-23-17(20)21)12-4-6-13(7-5-12)15(18)14-3-2-10-24-14/h2-7,10-11H,8-9H2,1H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482367
PNG
(CHEMBL1170458)
Show SMILES Oc1ccc2cc(ccc2c1O)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-4-2-1-3-12(14)10-5-7-13-11(9-10)6-8-15(21)16(13)22/h1-9,21-22H
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482356
PNG
(CHEMBL1173011)
Show SMILES Oc1ccc2cc(ccc2c1O)-c1ccccc1
Show InChI InChI=1S/C16H12O2/c17-15-9-7-13-10-12(6-8-14(13)16(15)18)11-4-2-1-3-5-11/h1-10,17-18H
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482363
PNG
(CHEMBL1170676)
Show SMILES Oc1ccc2cc(ccc2c1O)-c1ccccc1F
Show InChI InChI=1S/C16H11FO2/c17-14-4-2-1-3-12(14)10-5-7-13-11(9-10)6-8-15(18)16(13)19/h1-9,18-19H
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n/an/a 7.30E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482360
PNG
(CHEMBL1172005)
Show SMILES Oc1ccc2cc(ccc2c1O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO2/c17-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(18)16(14)19/h1-9,18-19H
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482357
PNG
(CHEMBL1170457)
Show SMILES Oc1ccc(cc1)-c1ccc2c(O)c(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(18)16(14)19/h1-9,17-19H
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n/an/a 8.10E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482359
PNG
(CHEMBL1171838)
Show SMILES Oc1ccc2cc(ccc2c1O)-c1cccc(F)c1
Show InChI InChI=1S/C16H11FO2/c17-13-3-1-2-10(9-13)11-4-6-14-12(8-11)5-7-15(18)16(14)19/h1-9,18-19H
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n/an/a 9.60E+3n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482358
PNG
(CHEMBL1170674)
Show SMILES Oc1ccc2cc(ccc2c1O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)13-3-1-2-10(9-13)11-4-6-14-12(8-11)5-7-15(21)16(14)22/h1-9,21-22H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482366
PNG
(CHEMBL1173012)
Show SMILES Oc1ccc2cc(ccc2c1O)-c1ccccc1O
Show InChI InChI=1S/C16H12O3/c17-14-4-2-1-3-12(14)10-5-7-13-11(9-10)6-8-15(18)16(13)19/h1-9,17-19H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482365
PNG
(CHEMBL1170675)
Show SMILES Oc1ccc2cc(ccc2c1O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)16(14)22/h1-9,21-22H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase after 1 hr by ELISA


Bioorg Med Chem 18: 5194-201 (2010)


Article DOI: 10.1016/j.bmc.2010.05.059
BindingDB Entry DOI: 10.7270/Q28G8PHZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50272734
PNG
(2-(6-Chloro-9H-carbazol-2-yl)-propionic acid 2-nit...)
Show SMILES CC(COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc21)O[N+]([O-])=O
Show InChI InChI=1S/C18H17ClN2O5/c1-10(26-21(23)24)9-25-18(22)11(2)12-3-5-14-15-8-13(19)4-6-16(15)20-17(14)7-12/h3-8,10-11,20H,9H2,1-2H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50272678
PNG
(2-(6-Chloro-9H-carbazol-2-yl)-propionic acid 2-nit...)
Show SMILES CC(C(=O)OCCO[N+]([O-])=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C17H15ClN2O5/c1-10(17(21)24-6-7-25-20(22)23)11-2-4-13-14-9-12(18)3-5-15(14)19-16(13)8-11/h2-5,8-10,19H,6-7H2,1H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50272678
PNG
(2-(6-Chloro-9H-carbazol-2-yl)-propionic acid 2-nit...)
Show SMILES CC(C(=O)OCCO[N+]([O-])=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C17H15ClN2O5/c1-10(17(21)24-6-7-25-20(22)23)11-2-4-13-14-9-12(18)3-5-15(14)19-16(13)8-11/h2-5,8-10,19H,6-7H2,1H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50272734
PNG
(2-(6-Chloro-9H-carbazol-2-yl)-propionic acid 2-nit...)
Show SMILES CC(COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc21)O[N+]([O-])=O
Show InChI InChI=1S/C18H17ClN2O5/c1-10(26-21(23)24)9-25-18(22)11(2)12-3-5-14-15-8-13(19)4-6-16(15)20-17(14)7-12/h3-8,10-11,20H,9H2,1-2H3
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n/an/a 1.23E+5n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
BindingDB Entry DOI: 10.7270/Q2G73DH6
More data for this
Ligand-Target Pair