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Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'norton' and Initial = 'mb'   
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
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128131
PNG
((R)-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-...)
Show SMILES CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3/t23-/m1/s1
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n/an/a 0.770n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer with <1 nM [CETP] for 18 ...


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049644
PNG
(4,4',5'-Trifluoro-3-methyl-[1,1';2',1'']terphenyl-...)
Show SMILES Cc1cc(ccc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14F3NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049619
PNG
(3-Chloro-4,4',5'-trifluoro-[1,1';2',1'']terphenyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H11ClF3NO2S/c19-15-7-11(3-6-16(15)20)14-9-18(22)17(21)8-13(14)10-1-4-12(5-2-10)26(23,24)25/h1-9H,(H2,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029625
PNG
(1-methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...)
Show SMILES Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:8|
Show InChI InChI=1S/C19H20O2S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(2,20)21/h6-13H,3-5H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029623
PNG
(1-chloro-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C18H17ClO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049625
PNG
(3-Chloro-4',5'-difluoro-4-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-2-3-13(8-17(11)20)16-10-19(22)18(21)9-15(16)12-4-6-14(7-5-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049653
PNG
(4-Chloro-4',5'-difluoro-3-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049622
PNG
(2'-Benzo[1,3]dioxol-5-yl-4',5'-difluoro-biphenyl-4...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H13F2NO4S/c20-16-8-14(11-1-4-13(5-2-11)27(22,23)24)15(9-17(16)21)12-3-6-18-19(7-12)26-10-25-18/h1-9H,10H2,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049645
PNG
(4',5'-Difluoro-4''-methyl-[1,1';2',1'']terphenyl-4...)
Show SMILES Cc1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H15F2NO2S/c1-12-2-4-13(5-3-12)16-10-18(20)19(21)11-17(16)14-6-8-15(9-7-14)25(22,23)24/h2-11H,1H3,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049659
PNG
(4',5',4''-Trifluoro-[1,1';2',1'']terphenyl-4-sulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H12F3NO2S/c19-13-5-1-11(2-6-13)15-9-17(20)18(21)10-16(15)12-3-7-14(8-4-12)25(22,23)24/h1-10H,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049623
PNG
(4,4',5'-Trifluoro-4''-methanesulfonyl-3-methyl-[1,...)
Show SMILES Cc1cc(ccc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049656
PNG
(4',5'-Difluoro-4-methoxy-3-methyl-[1,1';2',1'']ter...)
Show SMILES COc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO3S/c1-12-9-14(5-8-20(12)26-2)17-11-19(22)18(21)10-16(17)13-3-6-15(7-4-13)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029613
PNG
(1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...)
Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9|
Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049662
PNG
(4',5'-Difluoro-3,4-dimethyl-[1,1';2',1'']terphenyl...)
Show SMILES Cc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO2S/c1-12-3-4-15(9-13(12)2)18-11-20(22)19(21)10-17(18)14-5-7-16(8-6-14)26(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049651
PNG
(4-Chloro-[1,1'';2'',1'''']terphenyl-4''''-sulfonic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO2S/c19-15-9-5-13(6-10-15)17-3-1-2-4-18(17)14-7-11-16(12-8-14)23(20,21)22/h1-12H,(H2,20,21,22)
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n/an/a 6n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049617
PNG
(4-Chloro-4',5'-difluoro-4''-methanesulfonyl-3-meth...)
Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049646
PNG
(3-Chloro-4-dimethylamino-4',5'-difluoro-[1,1';2',1...)
Show SMILES CN(C)c1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17ClF2N2O2S/c1-25(2)20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)28(24,26)27/h3-11H,1-2H3,(H2,24,26,27)
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n/an/a 6n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50037941
PNG
(1-[4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-cyclo...)
Show SMILES CC1(C)CC(=C(C1)c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C20H21ClO2S/c1-20(2)12-18(14-4-8-16(21)9-5-14)19(13-20)15-6-10-17(11-7-15)24(3,22)23/h4-11H,12-13H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049660
PNG
(4',5'-Difluoro-4''-methanesulfonyl-4-methyl-[1,1';...)
Show SMILES Cc1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H16F2O2S/c1-13-3-5-14(6-4-13)17-11-19(21)20(22)12-18(17)15-7-9-16(10-8-15)25(2,23)24/h3-12H,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049649
PNG
((3-Chloro-4',5'-difluoro-4''-methanesulfonyl-[1,1'...)
Show SMILES CN(C)c1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18ClF2NO2S/c1-25(2)21-9-6-14(10-18(21)22)17-12-20(24)19(23)11-16(17)13-4-7-15(8-5-13)28(3,26)27/h4-12H,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049642
PNG
(3-Chloro-4,4',5'-trifluoro-4''-methanesulfonyl-[1,...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H12ClF3O2S/c1-26(24,25)13-5-2-11(3-6-13)14-9-18(22)19(23)10-15(14)12-4-7-17(21)16(20)8-12/h2-10H,1H3
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n/an/a 10n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
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 10n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049635
PNG
(5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H14F2O4S/c1-27(23,24)14-5-2-12(3-6-14)15-9-17(21)18(22)10-16(15)13-4-7-19-20(8-13)26-11-25-19/h2-10H,11H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049636
PNG
(4',5'-Difluoro-4''-methanesulfonyl-4-methoxy-3-met...)
Show SMILES COc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2O3S/c1-13-10-15(6-9-21(13)26-2)18-12-20(23)19(22)11-17(18)14-4-7-16(8-5-14)27(3,24)25/h4-12H,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049652
PNG
(3-Chloro-4',5'-difluoro-4-methoxy-[1,1';2',1'']ter...)
Show SMILES COc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO3S/c1-26-19-7-4-12(8-16(19)20)15-10-18(22)17(21)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049639
PNG
(3,4',5'-Trifluoro-4-methoxy-[1,1';2',1'']terphenyl...)
Show SMILES COc1ccc(cc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14F3NO3S/c1-26-19-7-4-12(8-18(19)22)15-10-17(21)16(20)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049637
PNG
(3-Chloro-4',5'-difluoro-4''-methanesulfonyl-4-meth...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O2S/c1-12-3-4-14(9-18(12)21)17-11-20(23)19(22)10-16(17)13-5-7-15(8-6-13)26(2,24)25/h3-11H,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049632
PNG
(4',5',4''-Trifluoro-4-methanesulfonyl-[1,1';2',1''...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H13F3O2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(22)18(21)10-16(17)12-2-6-14(20)7-3-12/h2-11H,1H3
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n/an/a 14n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50037945
PNG
(1-[2-(4-fluorophenyl)-4,4-dimethyl-1-cyclopentenyl...)
Show SMILES CC1(C)CC(=C(C1)c1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C20H21FO2S/c1-20(2)12-18(14-4-8-16(21)9-5-14)19(13-20)15-6-10-17(11-7-15)24(3,22)23/h4-11H,12-13H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049633
PNG
(3-Chloro-4-fluoro-[1,1'';2'',1'''']terphenyl-4''''...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H13ClFNO2S/c19-17-11-13(7-10-18(17)20)16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(21,22)23/h1-11H,(H2,21,22,23)
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n/an/a 17n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049618
PNG
(3-Chloro-4-methoxy-[1,1'';2'',1'''']terphenyl-4'''...)
Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
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n/an/a 19n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049641
PNG
(3-Chloro-4',5'-difluoro-4''-methanesulfonyl-4-meth...)
Show SMILES COc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O3S/c1-26-20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128175
PNG
(1,1,1-Trifluoro-3-{[3-(3-isopropyl-phenoxy)-phenyl...)
Show SMILES CC(C)c1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C27H26F7NO3/c1-17(2)19-7-4-9-21(13-19)37-22-10-5-8-20(14-22)35(16-24(36)26(30,31)32)15-18-6-3-11-23(12-18)38-27(33,34)25(28)29/h3-14,17,24-25,36H,15-16H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049634
PNG
(3,4',5'-Trifluoro-4''-methanesulfonyl-4-methoxy-[1...)
Show SMILES COc1ccc(cc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O3S/c1-26-20-8-5-13(9-19(20)23)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049621
PNG
(3,5-Dichloro-4',5'-difluoro-4-methoxy-[1,1';2',1''...)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H13Cl2F2NO3S/c1-27-19-15(20)6-11(7-16(19)21)14-9-18(23)17(22)8-13(14)10-2-4-12(5-3-10)28(24,25)26/h2-9H,1H3,(H2,24,25,26)
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n/an/a 21n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049640
PNG
(4',5'-Difluoro-4''-methanesulfonyl-3,4-dimethyl-[1...)
Show SMILES Cc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2O2S/c1-13-4-5-16(10-14(13)2)19-12-21(23)20(22)11-18(19)15-6-8-17(9-7-15)26(3,24)25/h4-12H,1-3H3
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n/an/a 23n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029614
PNG
((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C18H17FO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128164
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...)
Show SMILES CCc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl
Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128141
PNG
(1,1,1-Trifluoro-3-{[3-(4-fluoro-phenoxy)-phenyl]-[...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H19F8NO3/c25-16-7-9-18(10-8-16)35-19-5-2-4-17(12-19)33(14-21(34)23(28,29)30)13-15-3-1-6-20(11-15)36-24(31,32)22(26)27/h1-12,21-22,34H,13-14H2
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n/an/a 30n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128135
PNG
(3-((3-(2,3-dichlorophenoxy)phenyl)(3-(1,1,2,2-tetr...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F7NO3/c25-18-8-3-9-19(21(18)26)36-16-6-2-5-15(11-16)34(13-20(35)23(29,30)31)12-14-4-1-7-17(10-14)37-24(32,33)22(27)28/h1-11,20,22,35H,12-13H2
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n/an/a 30n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128154
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F
Show InChI InChI=1S/C25H19F10NO4/c26-22(27)24(31,32)39-19-8-1-4-15(10-19)13-36(14-21(37)23(28,29)30)16-5-2-6-17(11-16)38-18-7-3-9-20(12-18)40-25(33,34)35/h1-12,21-22,37H,13-14H2
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n/an/a 30n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049647
PNG
(2'-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4',5'-diflu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H15F2NO4S/c21-17-10-15(12-1-4-14(5-2-12)28(23,24)25)16(11-18(17)22)13-3-6-19-20(9-13)27-8-7-26-19/h1-6,9-11H,7-8H2,(H2,23,24,25)
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n/an/a 32n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049661
PNG
(3''''-Fluoro-4''''-methoxy-[1,1'';2'',1'''']terphe...)
Show SMILES COc1ccc(cc1F)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16FNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
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n/an/a 33n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50037942
PNG
(1-[4,4-bis(fluoromethyl)-2-(4-fluorophenyl)cyclope...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CC(CF)(CF)C1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C20H19F3O2S/c1-26(24,25)17-8-4-15(5-9-17)19-11-20(12-21,13-22)10-18(19)14-2-6-16(23)7-3-14/h2-9H,10-13H2,1H3
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n/an/a 51n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049663
PNG
(4',5'-Difluoro-2'-(6-methyl-pyridin-3-yl)-biphenyl...)
Show SMILES Cc1ccc(cn1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14F2N2O2S/c1-11-2-3-13(10-22-11)16-9-18(20)17(19)8-15(16)12-4-6-14(7-5-12)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
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n/an/a 51n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50037951
PNG
(2,4-Dichloro-1-[2-(4-methanesulfonyl-phenyl)-cyclo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1Cl |t:11|
Show InChI InChI=1S/C18H16Cl2O2S/c1-23(21,22)14-8-5-12(6-9-14)15-3-2-4-16(15)17-10-7-13(19)11-18(17)20/h5-11H,2-4H2,1H3
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n/an/a 53n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128176
PNG
(1,1,1-Trifluoro-3-{[3-(1,1,2,2-tetrafluoro-ethoxy)...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F
Show InChI InChI=1S/C26H21F10NO4/c27-23(28)25(32,33)40-20-8-1-4-16(10-20)13-37(14-22(38)24(29,30)31)18-6-3-7-19(12-18)39-15-17-5-2-9-21(11-17)41-26(34,35)36/h1-12,22-23,38H,13-15H2
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n/an/a 60n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50128146
PNG
(3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-ethy...)
Show SMILES CCc1cccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)c1
Show InChI InChI=1S/C26H24F7NO3/c1-2-17-6-3-9-20(12-17)36-21-10-5-8-19(14-21)34(16-23(35)25(29,30)31)15-18-7-4-11-22(13-18)37-26(32,33)24(27)28/h3-14,23-24,35H,2,15-16H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Pharmacia Discovery Research (Pfizer Global Research and Development)

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer


J Med Chem 46: 2152-68 (2003)


Article DOI: 10.1021/jm020528+
BindingDB Entry DOI: 10.7270/Q2QV3KWK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049657
PNG
(4''-Fluoro-[1,1';2',1'']terphenyl-4-sulfonic acid ...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FNO2S/c19-15-9-5-13(6-10-15)17-3-1-2-4-18(17)14-7-11-16(12-8-14)23(20,21)22/h1-12H,(H2,20,21,22)
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n/an/a 61n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50049616
PNG
(4',5'-Difluoro-3,4-dimethoxy-[1,1';2',1'']terpheny...)
Show SMILES COc1ccc(cc1OC)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO4S/c1-26-19-8-5-13(9-20(19)27-2)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)28(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a 65n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
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