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Compile Data Set for Download or QSAR

Found 476 hits with Last Name = 'garcía-rafanell' and Initial = 'j'   
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003524
PNG
(CHEMBL3216197 | CHEMBL544141 | [4-(2,2-Diphenyl-pr...)
Show SMILES Cl.Cl.CC(C(=O)N1CCN(CC1)C(C#N)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O/c1-26(22-10-4-2-5-11-22,23-12-6-3-7-13-23)25(31)30-17-15-29(16-18-30)24(19-27)21-9-8-14-28-20-21/h2-14,20,24H,15-18H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 2n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prostaglandin G/H synthase 1 (COX-1) in U-937 cells


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131579
PNG
(4-[4-Chloro-5-(4-ethoxy-phenyl)-imidazol-1-yl]-ben...)
Show SMILES CCOc1ccc(cc1)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H16ClN3O3S/c1-2-24-14-7-3-12(4-8-14)16-17(18)20-11-21(16)13-5-9-15(10-6-13)25(19,22)23/h3-11H,2H2,1H3,(H2,19,22,23)
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Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (COX-2) in 143982 cells


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131567
PNG
(4-[4-Chloro-5-(3,5-dichloro-phenyl)-imidazol-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H10Cl3N3O2S/c16-10-5-9(6-11(17)7-10)14-15(18)20-8-21(14)12-1-3-13(4-2-12)24(19,22)23/h1-8H,(H2,19,22,23)
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n/an/a 2n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005224
PNG
(2-({Acetyl-[5-(16-methoxy-hexadecyloxy)-tetrahydro...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCCCCCCCCCCCCCCCOC
Show InChI InChI=1S/C33H57N2O6/c1-4-34-22-18-17-21-31(34)26-35(29(2)36)33(37)41-28-30-25-32(40-27-30)39-24-20-16-14-12-10-8-6-5-7-9-11-13-15-19-23-38-3/h17-18,21-22,30,32H,4-16,19-20,23-28H2,1-3H3/q+1
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n/an/a 2.10n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


J Med Chem 35: 676-83 (1992)


Article DOI: 10.1021/jm00082a007
BindingDB Entry DOI: 10.7270/Q298860P
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003499
PNG
(CHEMBL338940 | [4-(3-Hydroxy-3,3-diphenyl-propiony...)
Show SMILES OC(CC(=O)N1CCN(CC1)C(C#N)c1ccncc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c27-20-24(21-11-13-28-14-12-21)29-15-17-30(18-16-29)25(31)19-26(32,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,32H,15-19H2
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n/an/a 2.70n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 3n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


Article DOI: 10.1021/jm0009383
BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131569
PNG
(4-(4-Chloro-5-p-tolyl-imidazol-1-yl)-benzenesulfon...)
Show SMILES Cc1ccc(cc1)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-11-2-4-12(5-3-11)15-16(17)19-10-20(15)13-6-8-14(9-7-13)23(18,21)22/h2-10H,1H3,(H2,18,21,22)
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n/an/a 3n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131585
PNG
(4-Chloro-5-(4-ethoxy-phenyl)-1-(4-methanesulfonyl-...)
Show SMILES CCOc1ccc(cc1)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17ClN2O3S/c1-3-24-15-8-4-13(5-9-15)17-18(19)20-12-21(17)14-6-10-16(11-7-14)25(2,22)23/h4-12H,3H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131622
PNG
(4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-1-(4-methan...)
Show SMILES COc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14ClFN2O3S/c1-24-15-8-3-11(9-14(15)19)16-17(18)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005227
PNG
(2-({Acetyl-[5-(6-decyloxy-hexyloxy)-tetrahydro-fur...)
Show SMILES CCCCCCCCCCOCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C32H55N2O6/c1-4-6-7-8-9-10-11-16-21-37-22-17-12-13-18-23-38-31-24-29(26-39-31)27-40-32(36)34(28(3)35)25-30-19-14-15-20-33(30)5-2/h14-15,19-20,29,31H,4-13,16-18,21-27H2,1-3H3/q+1
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n/an/a 4.10n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


J Med Chem 35: 676-83 (1992)


Article DOI: 10.1021/jm00082a007
BindingDB Entry DOI: 10.7270/Q298860P
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50011053
PNG
(CHEMBL125576 | Tetrahydrofuran derivative)
Show SMILES CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1
Show InChI InChI=1S/C33H56N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-34-42-32(38)24-29-23-31(40-26-29)27-41-33(39)36(28(3)37)25-30-20-17-19-22-35(30)5-2/h17,19-20,22,29,31,34H,4-16,18,21,23-27H2,1-3H3/q+1
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n/an/a 4.5n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%


J Med Chem 34: 373-86 (1991)


Article DOI: 10.1021/jm00105a058
BindingDB Entry DOI: 10.7270/Q2DF6Q51
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131593
PNG
(4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol...)
Show SMILES COc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
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n/an/a 5n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131646
PNG
(4-[4-Chloro-5-(3-chloro-4-methoxy-phenyl)-imidazol...)
Show SMILES COc1ccc(cc1Cl)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H13Cl2N3O3S/c1-24-14-7-2-10(8-13(14)17)15-16(18)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
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n/an/a 5n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131602
PNG
(4-Chloro-5-(3-fluoro-4-methyl-phenyl)-1-(4-methane...)
Show SMILES Cc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14ClFN2O2S/c1-11-3-4-12(9-15(11)19)16-17(18)20-10-21(16)13-5-7-14(8-6-13)24(2,22)23/h3-10H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131604
PNG
(5-Benzo[1,3]dioxol-5-yl-4-chloro-1-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H13ClN2O4S/c1-25(21,22)13-5-3-12(4-6-13)20-9-19-17(18)16(20)11-2-7-14-15(8-11)24-10-23-14/h2-9H,10H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131608
PNG
(4-Chloro-5-(2,3-dichloro-phenyl)-1-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H11Cl3N2O2S/c1-24(22,23)11-7-5-10(6-8-11)21-9-20-16(19)15(21)12-3-2-4-13(17)14(12)18/h2-9H,1H3
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n/an/a 6n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005225
PNG
(2-{[Acetyl-(5-hexadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-28-32-24-30(26-39-32)27-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
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n/an/a 6.80n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%


J Med Chem 34: 373-86 (1991)


Article DOI: 10.1021/jm00105a058
BindingDB Entry DOI: 10.7270/Q2DF6Q51
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131614
PNG
(4-[4-Chloro-5-(3-chloro-4-ethoxy-phenyl)-imidazol-...)
Show SMILES CCOc1ccc(cc1Cl)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H15Cl2N3O3S/c1-2-25-15-8-3-11(9-14(15)18)16-17(19)21-10-22(16)12-4-6-13(7-5-12)26(20,23)24/h3-10H,2H2,1H3,(H2,20,23,24)
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n/an/a 7n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131591
PNG
(4-Chloro-5-(3-chloro-4-ethoxy-phenyl)-1-(4-methane...)
Show SMILES CCOc1ccc(cc1Cl)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16Cl2N2O3S/c1-3-25-16-9-4-12(10-15(16)19)17-18(20)21-11-22(17)13-5-7-14(8-6-13)26(2,23)24/h4-11H,3H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131611
PNG
(4-Chloro-5-(3,5-dichloro-4-methoxy-phenyl)-1-(4-me...)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H13Cl3N2O3S/c1-25-16-13(18)7-10(8-14(16)19)15-17(20)21-9-22(15)11-3-5-12(6-4-11)26(2,23)24/h3-9H,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131650
PNG
(4-Chloro-5-(2,4-difluoro-phenyl)-1-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(F)cc1F
Show InChI InChI=1S/C16H11ClF2N2O2S/c1-24(22,23)12-5-3-11(4-6-12)21-9-20-16(17)15(21)13-7-2-10(18)8-14(13)19/h2-9H,1H3
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n/an/a 7n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003525
PNG
(CHEMBL133742 | [4-(2,3-Diphenyl-acryloyl)-piperazi...)
Show SMILES O=C(N1CCN(CC1)C(C#N)c1cccnc1)C(=C\c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C26H24N4O/c27-19-25(23-12-7-13-28-20-23)29-14-16-30(17-15-29)26(31)24(22-10-5-2-6-11-22)18-21-8-3-1-4-9-21/h1-13,18,20,25H,14-17H2/b24-18+
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n/an/a 7.5n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50011106
PNG
(2-{[Acetyl-(4-octadecyloxymethyl-[1,3]dioxolan-2-y...)
Show SMILES CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C32H54N3O7/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-33-42-30(37)23-29-25-39-31(41-29)26-40-32(38)35(27(3)36)24-28-20-17-19-22-34(28)5-2/h17,19-20,22,29,31,33H,4-16,18,21,23-26H2,1-3H3/q+1
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n/an/a 7.5n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%


J Med Chem 34: 373-86 (1991)


Article DOI: 10.1021/jm00105a058
BindingDB Entry DOI: 10.7270/Q2DF6Q51
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50011053
PNG
(CHEMBL125576 | Tetrahydrofuran derivative)
Show SMILES CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1
Show InChI InChI=1S/C33H56N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-34-42-32(38)24-29-23-31(40-26-29)27-41-33(39)36(28(3)37)25-30-20-17-19-22-35(30)5-2/h17,19-20,22,29,31,34H,4-16,18,21,23-27H2,1-3H3/q+1
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n/an/a 8n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%


J Med Chem 34: 373-86 (1991)


Article DOI: 10.1021/jm00105a058
BindingDB Entry DOI: 10.7270/Q2DF6Q51
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131616
PNG
(4-Chloro-5-(3-chloro-4-methoxy-phenyl)-1-(4-methan...)
Show SMILES COc1ccc(cc1Cl)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O3S/c1-24-15-8-3-11(9-14(15)18)16-17(19)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131647
PNG
(4-[4-Chloro-5-(4-fluoro-3-methoxy-phenyl)-imidazol...)
Show SMILES COc1cc(ccc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H13ClFN3O3S/c1-24-14-8-10(2-7-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
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n/an/a 8n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50011055
PNG
(2-{[Acetyl-(4-hexadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1
Show InChI InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-26-30-24-32(39-27-30)28-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
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n/an/a 8.20n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%


J Med Chem 34: 373-86 (1991)


Article DOI: 10.1021/jm00105a058
BindingDB Entry DOI: 10.7270/Q2DF6Q51
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005225
PNG
(2-{[Acetyl-(5-hexadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-28-32-24-30(26-39-32)27-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
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n/an/a 8.60n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


J Med Chem 35: 676-83 (1992)


Article DOI: 10.1021/jm00082a007
BindingDB Entry DOI: 10.7270/Q298860P
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005225
PNG
(2-{[Acetyl-(5-hexadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-28-32-24-30(26-39-32)27-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
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n/an/a 8.60n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%


J Med Chem 34: 373-86 (1991)


Article DOI: 10.1021/jm00105a058
BindingDB Entry DOI: 10.7270/Q2DF6Q51
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50045990
PNG
(CHEMBL102070 | N-(3-{4-[Cyano-(2-methyl-pyridin-3-...)
Show SMILES Cc1ncccc1C(C#N)N1CCN(CC1)C(=O)CC(NC(=O)c1cccnc1)c1ccccc1
Show InChI InChI=1S/C27H28N6O2/c1-20-23(10-6-12-30-20)25(18-28)32-13-15-33(16-14-32)26(34)17-24(21-7-3-2-4-8-21)31-27(35)22-9-5-11-29-19-22/h2-12,19,24-25H,13-17H2,1H3,(H,31,35)
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n/an/a 8.90n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Inhibition of PAF-induced platelet aggregation


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 9n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


Article DOI: 10.1021/jm0009383
BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131621
PNG
(4-Chloro-5-(2,3-dihydro-benzofuran-5-yl)-1-(4-meth...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc2OCCc2c1
Show InChI InChI=1S/C18H15ClN2O3S/c1-25(22,23)15-5-3-14(4-6-15)21-11-20-18(19)17(21)13-2-7-16-12(10-13)8-9-24-16/h2-7,10-11H,8-9H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 9n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131586
PNG
(4-(4-Chloro-5-phenyl-imidazol-1-yl)-benzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C15H12ClN3O2S/c16-15-14(11-4-2-1-3-5-11)19(10-18-15)12-6-8-13(9-7-12)22(17,20)21/h1-10H,(H2,17,20,21)
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n/an/a 9n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50045970
PNG
(CHEMBL102918 | N-(3-{4-[Cyano-(2-methyl-pyridin-3-...)
Show SMILES Cc1ncccc1C(C#N)N1CCN(CC1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29N5O2/c1-21-24(13-8-14-30-21)26(20-29)32-15-17-33(18-16-32)27(34)19-25(22-9-4-2-5-10-22)31-28(35)23-11-6-3-7-12-23/h2-14,25-26H,15-19H2,1H3,(H,31,35)
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n/an/a 9.10n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Inhibition of PAF-induced platelet aggregation


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003506
PNG
(CHEMBL322184 | CHEMBL545771 | {4-[2-(Benzhydryl-am...)
Show SMILES O=C(CNC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C#N)c1cccnc1
Show InChI InChI=1S/C26H27N5O/c27-18-24(23-12-7-13-28-19-23)30-14-16-31(17-15-30)25(32)20-29-26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,19,24,26,29H,14-17,20H2
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n/an/a 9.10n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003506
PNG
(CHEMBL322184 | CHEMBL545771 | {4-[2-(Benzhydryl-am...)
Show SMILES O=C(CNC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C#N)c1cccnc1
Show InChI InChI=1S/C26H27N5O/c27-18-24(23-12-7-13-28-19-23)30-14-16-31(17-15-30)25(32)20-29-26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,19,24,26,29H,14-17,20H2
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n/an/a 9.10n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Inhibition of PAF-induced platelet aggregation


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50046012
PNG
(CHEMBL100497 | [4-(3-Benzylamino-3-phenyl-propiony...)
Show SMILES Cc1ncccc1C(C#N)N1CCN(CC1)C(=O)CC(NCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N5O/c1-22-25(13-8-14-30-22)27(20-29)32-15-17-33(18-16-32)28(34)19-26(24-11-6-3-7-12-24)31-21-23-9-4-2-5-10-23/h2-14,26-27,31H,15-19,21H2,1H3
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n/an/a 9.10n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Inhibition of PAF-induced platelet aggregation


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005231
PNG
(2-{[Acetyl-(5-hexadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C32H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-31-24-29(26-38-31)27-39-32(36)34(28(3)35)25-30-21-18-19-22-33(30)5-2/h18-19,21-22,29,31H,4-17,20,23-27H2,1-3H3/q+1
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n/an/a 9.70n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


J Med Chem 35: 676-83 (1992)


Article DOI: 10.1021/jm00082a007
BindingDB Entry DOI: 10.7270/Q298860P
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003522
PNG
((4-Diphenylacetyl-piperazin-1-yl)-pyridin-3-yl-ace...)
Show SMILES O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C#N)c1cccnc1
Show InChI InChI=1S/C25H24N4O/c26-18-23(22-12-7-13-27-19-22)28-14-16-29(17-15-28)25(30)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19,23-24H,14-17H2
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n/an/a 10n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003473
PNG
(CHEMBL317193 | [4-(3,3-Diphenyl-acryloyl)-piperazi...)
Show SMILES O=C(C=C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C#N)c1cccnc1
Show InChI InChI=1S/C26H24N4O/c27-19-25(23-12-7-13-28-20-23)29-14-16-30(17-15-29)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,20,25H,14-17H2
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n/an/a 10n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003473
PNG
(CHEMBL317193 | [4-(3,3-Diphenyl-acryloyl)-piperazi...)
Show SMILES O=C(C=C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C#N)c1cccnc1
Show InChI InChI=1S/C26H24N4O/c27-19-25(23-12-7-13-28-20-23)29-14-16-30(17-15-29)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,20,25H,14-17H2
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n/an/a 10n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF-induced platelet aggregation in male rabbits


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005237
PNG
(2-{[Acetyl-(5-octadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C35H61N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-40-30-34-26-32(28-41-34)29-42-35(39)37(31(3)38)27-33-23-20-21-24-36(33)5-2/h20-21,23-24,32,34H,4-19,22,25-30H2,1-3H3/q+1
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n/an/a 11n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


J Med Chem 35: 676-83 (1992)


Article DOI: 10.1021/jm00082a007
BindingDB Entry DOI: 10.7270/Q298860P
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50011058
PNG
(CHEMBL124534 | Tetrahydrofuran derivative)
Show SMILES CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H56N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-34-42-32(38)24-31-23-29(26-40-31)27-41-33(39)36(28(3)37)25-30-20-17-19-22-35(30)5-2/h17,19-20,22,29,31,34H,4-16,18,21,23-27H2,1-3H3/q+1
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n/an/a 11n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%


J Med Chem 34: 373-86 (1991)


Article DOI: 10.1021/jm00105a058
BindingDB Entry DOI: 10.7270/Q2DF6Q51
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003514
PNG
(CHEMBL3216401 | CHEMBL545075 | [4-(2-Benzyl-3-phen...)
Show SMILES Cl.Cl.O=C(C(Cc1ccccc1)Cc1ccccc1)N1CCN(CC1)C(C#N)c1cccnc1
Show InChI InChI=1S/C27H28N4O/c28-20-26(24-12-7-13-29-21-24)30-14-16-31(17-15-30)27(32)25(18-22-8-3-1-4-9-22)19-23-10-5-2-6-11-23/h1-13,21,25-26H,14-19H2
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n/an/a 11n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50045982
PNG
(CHEMBL103596 | [4-(3-Methylamino-3-phenyl-propiony...)
Show SMILES CNC(CC(=O)N1CCN(CC1)C(C#N)c1cccnc1C)c1ccccc1
Show InChI InChI=1S/C22H27N5O/c1-17-19(9-6-10-25-17)21(16-23)26-11-13-27(14-12-26)22(28)15-20(24-2)18-7-4-3-5-8-18/h3-10,20-21,24H,11-15H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Inhibition of PAF-induced platelet aggregation


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131588
PNG
(4-Chloro-5-(4-chloro-3-methyl-phenyl)-1-(4-methane...)
Show SMILES Cc1cc(ccc1Cl)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O2S/c1-11-9-12(3-8-15(11)18)16-17(19)20-10-21(16)13-4-6-14(7-5-13)24(2,22)23/h3-10H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131619
PNG
(4-Chloro-1-(4-methanesulfonyl-phenyl)-5-(4-methoxy...)
Show SMILES COc1ccc(cc1)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H15ClN2O3S/c1-23-14-7-3-12(4-8-14)16-17(18)19-11-20(16)13-5-9-15(10-6-13)24(2,21)22/h3-11H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50131648
PNG
(4-Chloro-1-(4-methanesulfonyl-phenyl)-5-(4-methyls...)
Show SMILES CSc1ccc(cc1)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-14-7-3-12(4-8-14)16-17(18)19-11-20(16)13-5-9-15(10-6-13)24(2,21)22/h3-11H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined


J Med Chem 46: 3463-75 (2003)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
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