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Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'michaux' 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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM23316
PNG
(7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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n/an/a 0.316n/an/an/an/a9.037



FUNDP



Assay Description
The effect of the test compounds on the enzymatic hydrolysis of [3H]anandamide was evaluated by using rat brain homogenate preparations. [3H]Ethanola...

Bioorg Med Chem Lett 16: 4772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.087
BindingDB Entry DOI: 10.7270/Q2M906ZB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells

Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2

Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50098926
PNG
(1-(2-Cyclohexylamino-5-nitro-benzenesulfonyl)-3-pe...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)
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n/an/a 1.10n/an/an/an/an/an/a



Facultés Universitaires N.-D. de la Paix

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against thromboxane A2 receptor

Bioorg Med Chem Lett 11: 1019-22 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7V80
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50110484
PNG
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells

Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425557
PNG
(CHEMBL2313948)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)OCC=C)C1=O |r|
Show InChI InChI=1S/C19H23NO5/c1-3-12-24-19(23)20-13-16(18(20)22)14(2)25-17(21)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3/t14-,16+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50075624
PNG
(6-{3-[1-(tert-butylamino)-2-cyano-(E)-1-iminomethy...)
Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15|
Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)
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n/an/a 4n/an/an/an/an/an/a



Facultés Universitaires N.-D. de la Paix

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against thromboxane A2 synthase

Bioorg Med Chem Lett 11: 1019-22 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7V80
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299922
PNG
(1-(Pent-4-enoyl)-(3S)-3-[1(R)-(4-phenylbutanoyloxy...)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)C1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C20H25NO4/c1-3-4-12-18(22)21-14-17(20(21)24)15(2)25-19(23)13-8-11-16-9-6-5-7-10-16/h3,5-7,9-10,15,17H,1,4,8,11-14H2,2H3/t15-,17?/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50393236
PNG
(CHEMBL2151432)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C20H25NO4/c1-3-4-12-18(22)21-14-17(20(21)24)15(2)25-19(23)13-8-11-16-9-6-5-7-10-16/h3,5-7,9-10,15,17H,1,4,8,11-14H2,2H3/t15-,17+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425556
PNG
(CHEMBL2313949)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)NCC=C)C1=O |r|
Show InChI InChI=1S/C19H24N2O4/c1-3-12-20-19(24)21-13-16(18(21)23)14(2)25-17(22)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3,(H,20,24)/t14-,16+/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM23315
PNG
(3-(3-carbamoylphenyl)phenyl N-(undec-10-yn-1-yl)ca...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCCCCCCC#C)c1
Show InChI InChI=1S/C25H30N2O3/c1-2-3-4-5-6-7-8-9-10-17-27-25(29)30-23-16-12-14-21(19-23)20-13-11-15-22(18-20)24(26)28/h1,11-16,18-19H,3-10,17H2,(H2,26,28)(H,27,29)
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n/an/a 10n/an/an/an/a9.037



FUNDP



Assay Description
The effect of the test compounds on the enzymatic hydrolysis of [3H]anandamide was evaluated by using rat brain homogenate preparations. [3H]Ethanola...

Bioorg Med Chem Lett 16: 4772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.087
BindingDB Entry DOI: 10.7270/Q2M906ZB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299926
PNG
(1-(Hexa-5-enoyl)-(3S)-3-[1(R)-(4-phenylbutanoyloxy...)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)CCCC=C)C1=O |r|
Show InChI InChI=1S/C21H27NO4/c1-3-4-6-13-19(23)22-15-18(21(22)25)16(2)26-20(24)14-9-12-17-10-7-5-8-11-17/h3,5,7-8,10-11,16,18H,1,4,6,9,12-15H2,2H3/t16-,18+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50075624
PNG
(6-{3-[1-(tert-butylamino)-2-cyano-(E)-1-iminomethy...)
Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15|
Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)
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n/an/a 11n/an/an/an/an/an/a



Facultés Universitaires N.-D. de la Paix

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against thromboxane A2 receptor

Bioorg Med Chem Lett 11: 1019-22 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7V80
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299923
PNG
(1-(Pent-4-enoyl)-(3S)-3-[1(R)-(biphenylacetyloxy)-...)
Show SMILES C[C@@H](OC(=O)Cc1ccc(cc1)-c1ccccc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C24H25NO4/c1-3-4-10-22(26)25-16-21(24(25)28)17(2)29-23(27)15-18-11-13-20(14-12-18)19-8-6-5-7-9-19/h3,5-9,11-14,17,21H,1,4,10,15-16H2,2H3/t17-,21+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425560
PNG
(CHEMBL2313951)
Show SMILES CCCSC(=O)N1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C19H25NO4S/c1-3-12-25-19(23)20-13-16(18(20)22)14(2)24-17(21)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3/t14-,16+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425564
PNG
(CHEMBL2313944)
Show SMILES C[C@@H](OC(=O)NCCc1ccccc1)[C@@H]1CN(C(=O)OCC=C)C1=O |r|
Show InChI InChI=1S/C18H22N2O5/c1-3-11-24-18(23)20-12-15(16(20)21)13(2)25-17(22)19-10-9-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,22)/t13-,15+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299927
PNG
(1-(Hexa-5-enoyl)-(3S)-3-[1(R)-(biphenylacetyloxy)-...)
Show SMILES C[C@@H](OC(=O)Cc1ccc(cc1)-c1ccccc1)[C@@H]1CN(C(=O)CCCC=C)C1=O |r|
Show InChI InChI=1S/C25H27NO4/c1-3-4-6-11-23(27)26-17-22(25(26)29)18(2)30-24(28)16-19-12-14-21(15-13-19)20-9-7-5-8-10-20/h3,5,7-10,12-15,18,22H,1,4,6,11,16-17H2,2H3/t18-,22+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425563
PNG
(CHEMBL2313945)
Show SMILES C[C@@H](OC(=O)NCCc1ccccc1)[C@@H]1CN(C(=O)NCC=C)C1=O |r|
Show InChI InChI=1S/C18H23N3O4/c1-3-10-19-17(23)21-12-15(16(21)22)13(2)25-18(24)20-11-9-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,23)(H,20,24)/t13-,15+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425566
PNG
(CHEMBL2313940)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=O)OCC=C)C1=O |r|
Show InChI InChI=1S/C18H21NO6/c1-3-9-24-18(22)19-10-15(17(19)21)13(2)25-16(20)12-23-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3/t13-,15+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299917
PNG
(1-(4-Phenylbutanoyl)-(3S)-3-[1(R)-(4-phenylbutanoy...)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C25H29NO4/c1-19(30-24(28)17-9-15-21-12-6-3-7-13-21)22-18-26(25(22)29)23(27)16-8-14-20-10-4-2-5-11-20/h2-7,10-13,19,22H,8-9,14-18H2,1H3/t19-,22+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425567
PNG
(CHEMBL2313952)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C19H23NO5/c1-3-4-10-17(21)20-11-16(19(20)23)14(2)25-18(22)13-24-12-15-8-6-5-7-9-15/h3,5-9,14,16H,1,4,10-13H2,2H3/t14-,16+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299919
PNG
(1-(4-Phenylbutanoyl)-(3S)-3-[1(R)-(biphenylacetylo...)
Show SMILES C[C@@H](OC(=O)Cc1ccc(cc1)-c1ccccc1)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C29H29NO4/c1-21(26-20-30(29(26)33)27(31)14-8-11-22-9-4-2-5-10-22)34-28(32)19-23-15-17-25(18-16-23)24-12-6-3-7-13-24/h2-7,9-10,12-13,15-18,21,26H,8,11,14,19-20H2,1H3/t21-,26+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299925
PNG
(1-(Pent-4-enoyl)-(3S)-3-[1(R)-(hexa-5-enoyloxy)-et...)
Show SMILES C[C@@H](OC(=O)CCCC=C)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C16H23NO4/c1-4-6-8-10-15(19)21-12(3)13-11-17(16(13)20)14(18)9-7-5-2/h4-5,12-13H,1-2,6-11H2,3H3/t12-,13+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425565
PNG
(CHEMBL2313943)
Show SMILES C[C@@H](OC(=O)NCCc1ccccc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C19H24N2O4/c1-3-4-10-17(22)21-13-16(18(21)23)14(2)25-19(24)20-12-11-15-8-6-5-7-9-15/h3,5-9,14,16H,1,4,10-13H2,2H3,(H,20,24)/t14-,16+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299918
PNG
(1-(4-Phenylbutanoyl)-(3S)-3-[1(R)-(5-phenylpentano...)
Show SMILES C[C@@H](OC(=O)CCCCc1ccccc1)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C26H31NO4/c1-20(31-25(29)18-9-8-15-21-11-4-2-5-12-21)23-19-27(26(23)30)24(28)17-10-16-22-13-6-3-7-14-22/h2-7,11-14,20,23H,8-10,15-19H2,1H3/t20-,23+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299913
PNG
(1-(3-Phenylpropanoyl)-(3S)-3-[1(R)-(4-phenylbutano...)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C24H27NO4/c1-18(29-23(27)14-8-13-19-9-4-2-5-10-19)21-17-25(24(21)28)22(26)16-15-20-11-6-3-7-12-20/h2-7,9-12,18,21H,8,13-17H2,1H3/t18-,21+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50110484
PNG
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells

Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299915
PNG
(1-(3-Phenylpropanoyl)-(3S)-3-[1(R)-(biphenylacetyl...)
Show SMILES C[C@@H](OC(=O)Cc1ccc(cc1)-c1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C28H27NO4/c1-20(25-19-29(28(25)32)26(30)17-14-21-8-4-2-5-9-21)33-27(31)18-22-12-15-24(16-13-22)23-10-6-3-7-11-23/h2-13,15-16,20,25H,14,17-19H2,1H3/t20-,25+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299916
PNG
(1-(4-Phenylbutanoyl)-(3S)-3-[1(R)-(3-phenylpropano...)
Show SMILES C[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C24H27NO4/c1-18(29-23(27)16-15-20-11-6-3-7-12-20)21-17-25(24(21)28)22(26)14-8-13-19-9-4-2-5-10-19/h2-7,9-12,18,21H,8,13-17H2,1H3/t18-,21+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425559
PNG
(CHEMBL2313941)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=O)NCC=C)C1=O |r|
Show InChI InChI=1S/C18H22N2O5/c1-3-9-19-18(23)20-10-15(17(20)22)13(2)25-16(21)12-24-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,23)/t13-,15+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50158453
PNG
(CHEMBL224400 | N-(3-Phenylamino-4-pyridinyl)triflu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccccc1
Show InChI InChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18)
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n/an/a 90n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299914
PNG
(1-(3-Phenylpropanoyl)-(3S)-3-[1(R)-(5-phenylpentan...)
Show SMILES C[C@@H](OC(=O)CCCCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C25H29NO4/c1-19(30-24(28)15-9-8-14-20-10-4-2-5-11-20)22-18-26(25(22)29)23(27)17-16-21-12-6-3-7-13-21/h2-7,10-13,19,22H,8-9,14-18H2,1H3/t19-,22+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299924
PNG
(1-(Pent-4-enoyl)-(3S)-3-[1(R)-(pent-4-enoyloxy)-et...)
Show SMILES C[C@@H](OC(=O)CCC=C)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C15H21NO4/c1-4-6-8-13(17)16-10-12(15(16)19)11(3)20-14(18)9-7-5-2/h4-5,11-12H,1-2,6-10H2,3H3/t11-,12+/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50110483
PNG
(2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22F2N2O6S/c1-29-22(6-8-30-9-7-22)15-10-17(24)12-18(11-15)31-13-19-26-20(21(32-19)33(25,27)28)14-2-4-16(23)5-3-14/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28)
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n/an/a<100n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2

Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50110485
PNG
(5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1
Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29)
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Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2

Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50158450
PNG
(CHEMBL224136 | N-[3-(2,4-dichlorophenoxy)-4-pyridi...)
Show SMILES CS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H10Cl2N2O3S/c1-20(17,18)16-10-4-5-15-7-12(10)19-11-3-2-8(13)6-9(11)14/h2-7H,1H3,(H,15,16)
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n/an/a 120n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50158444
PNG
(CHEMBL388628 | N-(3-(2-chlorophenoxy)-4-pyridinyl)...)
Show SMILES CS(=O)(=O)Nc1ccncc1Oc1ccccc1Cl
Show InChI InChI=1S/C12H11ClN2O3S/c1-19(16,17)15-10-6-7-14-8-12(10)18-11-5-3-2-4-9(11)13/h2-8H,1H3,(H,14,15)
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n/an/a 130n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50120981
PNG
(1,1,1-trifluoro-N-(3-phenoxypyridin-4-yl)methanesu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccccc1
Show InChI InChI=1S/C12H9F3N2O3S/c13-12(14,15)21(18,19)17-10-6-7-16-8-11(10)20-9-4-2-1-3-5-9/h1-8H,(H,16,17)
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n/an/a 140n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 product...

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50425568
PNG
(CHEMBL2313950)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=S)NCC=C)C1=O |r|
Show InChI InChI=1S/C19H24N2O3S/c1-3-12-20-19(25)21-13-16(18(21)23)14(2)24-17(22)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3,(H,20,25)/t14-,16+/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay

Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50110485
PNG
(5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1
Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29)
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n/an/a 150n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the inhibition of calcium ionophore-induced leukotriene B4 production in...

Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50158451
PNG
(CHEMBL224640 | N-[3-(2-chlorophenoxy)-4-pyridinyl]...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccccc1Cl
Show InChI InChI=1S/C12H8ClF3N2O3S/c13-8-3-1-2-4-10(8)21-11-7-17-6-5-9(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)
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n/an/a 150n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299912
PNG
(1-(3-Phenylpropanoyl)-(3S)-3-[1(R)-(3-phenylpropan...)
Show SMILES C[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C23H25NO4/c1-17(28-22(26)15-13-19-10-6-3-7-11-19)20-16-24(23(20)27)21(25)14-12-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20+/m1/s1
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n/an/a 157n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50158453
PNG
(CHEMBL224400 | N-(3-Phenylamino-4-pyridinyl)triflu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccccc1
Show InChI InChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18)
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n/an/a 180n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 product...

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50299921
PNG
(1-(5-Phenylpentanoyl)-(3S)-3-[1(R)-(biphenylacetyl...)
Show SMILES C[C@@H](OC(=O)Cc1ccc(cc1)-c1ccccc1)[C@@H]1CN(C(=O)CCCCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C30H31NO4/c1-22(35-29(33)20-24-16-18-26(19-17-24)25-13-6-3-7-14-25)27-21-31(30(27)34)28(32)15-9-8-12-23-10-4-2-5-11-23/h2-7,10-11,13-14,16-19,22,27H,8-9,12,15,20-21H2,1H3/t22-,27+/m1/s1
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n/an/a 236n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay

J Med Chem 52: 7054-68 (2009)


Article DOI: 10.1021/jm9008532
BindingDB Entry DOI: 10.7270/Q22B8Z3N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50158443
PNG
(CHEMBL374168 | N-[3-(4-bromophenoxy)-4-pyridinyl]t...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccc(Br)cc1
Show InChI InChI=1S/C12H8BrF3N2O3S/c13-8-1-3-9(4-2-8)21-11-7-17-6-5-10(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)
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n/an/a 240n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 product...

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50158438
PNG
(CHEMBL225092 | N-[3-(4-methoxyphenoxy)-4-pyridinyl...)
Show SMILES COc1ccc(Oc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C13H11F3N2O4S/c1-21-9-2-4-10(5-3-9)22-12-8-17-7-6-11(12)18-23(19,20)13(14,15)16/h2-8H,1H3,(H,17,18)
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n/an/a 260n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 product...

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50158451
PNG
(CHEMBL224640 | N-[3-(2-chlorophenoxy)-4-pyridinyl]...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccccc1Cl
Show InChI InChI=1S/C12H8ClF3N2O3S/c13-8-3-1-2-4-10(8)21-11-7-17-6-5-9(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)
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n/an/a 270n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 product...

J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
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