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12 similar compounds to monomer 50074922

Compile data set for download or QSAR
Wt: 286.3
BDBM50074931
Wt: 272.3
BDBM50074937
Wt: 258.2
BDBM50139246
Purchase
Wt: 244.2
BDBM50172479
Purchase
Wt: 326.2
BDBM50172485
Wt: 313.1
BDBM50172469
Wt: 244.2
BDBM50172473
Purchase
Wt: 312.2
BDBM50172470
Wt: 336.3
BDBM50172466
Wt: 258.2
BDBM50181914
Wt: 230.2
BDBM50392945
Purchase
Wt: 256.2
BDBM50392948

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50074931,50074937,50139246,50172479,50172485,50172469,50172473,50172470,50172466,50181914,50392945,50392948   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50139246
PNG
(2-(2-Fluoro-biphenyl-4-yl)-propionic acid methyl e...)
Show SMILES COC(=O)C(C)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3
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n/an/a 2.10E+5n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Reverisible competitive inhibition of prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 667-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.034
BindingDB Entry DOI: 10.7270/Q2N29WC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50172473
PNG
((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...)
Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated 2-arachidonoylglycerol oxygenation in LPS/IFN-gamma-stimulated mouse RAW264.7 cells assessed as 2-AG to PGE2-G/PGD2-G con...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50172479
PNG
((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 16: 2219-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.033
BindingDB Entry DOI: 10.7270/Q2M32VC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50181914
PNG
(2-(2-Fluoro-biphenyl-4-yl)-2-methyl-propionic acid...)
Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C16H15FO2/c1-16(2,15(18)19)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 16: 2219-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.033
BindingDB Entry DOI: 10.7270/Q2M32VC8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50074931
PNG
(2-(2-Fluoro-3'-isopropyl-biphenyl-4-yl)-propionic ...)
Show SMILES CC(C)c1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C18H19FO2/c1-11(2)13-5-4-6-15(9-13)16-8-7-14(10-17(16)19)12(3)18(20)21/h4-12H,1-3H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 307-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00717-3
BindingDB Entry DOI: 10.7270/Q2H994CC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50074937
PNG
(2-(2-Fluoro-3',5'-dimethyl-biphenyl-4-yl)-propioni...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C17H17FO2/c1-10-6-11(2)8-14(7-10)15-5-4-13(9-16(15)18)12(3)17(19)20/h4-9,12H,1-3H3,(H,19,20)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 307-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00717-3
BindingDB Entry DOI: 10.7270/Q2H994CC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074931
PNG
(2-(2-Fluoro-3'-isopropyl-biphenyl-4-yl)-propionic ...)
Show SMILES CC(C)c1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C18H19FO2/c1-11(2)13-5-4-6-15(9-13)16-8-7-14(10-17(16)19)12(3)18(20)21/h4-12H,1-3H3,(H,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep


Bioorg Med Chem Lett 9: 307-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00717-3
BindingDB Entry DOI: 10.7270/Q2H994CC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074937
PNG
(2-(2-Fluoro-3',5'-dimethyl-biphenyl-4-yl)-propioni...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C17H17FO2/c1-10-6-11(2)8-14(7-10)15-5-4-13(9-16(15)18)12(3)17(19)20/h4-9,12H,1-3H3,(H,19,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep


Bioorg Med Chem Lett 9: 307-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00717-3
BindingDB Entry DOI: 10.7270/Q2H994CC
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50172473
PNG
((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...)
Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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n/an/a 3.07E+5n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of CHAPSO-solubilized gamma-secretase isolated from human SH-SY5Y P2 cell membranes assessed as reduction in Abeta(1 to 42) peptide genera...


Bioorg Med Chem Lett 25: 841-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.073
BindingDB Entry DOI: 10.7270/Q2280989
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50172469
PNG
(2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl)-propioni...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,19,20)
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n/an/a 9.40E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit A beta 40 peptide


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50172470
PNG
(2-(2-Fluoro-4'-trifluoromethyl-biphenyl-4-yl)-prop...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H12F4O2/c1-9(15(21)22)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9H,1H3,(H,21,22)
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n/an/a 1.29E+5n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50172473
PNG
((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...)
Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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n/an/a 2.80E+5n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50172469
PNG
(2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl)-propioni...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,19,20)
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n/an/a 7.70E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50172473
PNG
((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...)
Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-1 in rat blood


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50172479
PNG
((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-2 in human blood


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-1


(RAT)
BDBM50172479
PNG
((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-1 in rat blood


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50172473
PNG
((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...)
Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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n/an/a 1.23E+5n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-2 in human blood


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50172485
PNG
(2-(2-Fluoro-4'-trifluoromethyl-biphenyl-4-yl)-2-me...)
Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F4O2/c1-16(2,15(22)23)12-7-8-13(14(18)9-12)10-3-5-11(6-4-10)17(19,20)21/h3-9H,1-2H3,(H,22,23)
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n/an/a 7.06E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50392945
PNG
(CHEMBL2152245)
Show SMILES OC(=O)Cc1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50181914
PNG
(2-(2-Fluoro-biphenyl-4-yl)-2-methyl-propionic acid...)
Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C16H15FO2/c1-16(2,15(18)19)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50392948
PNG
(CHEMBL194760)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C16H13FO2/c17-14-10-12(16(8-9-16)15(18)19)6-7-13(14)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50392945
PNG
(CHEMBL2152245)
Show SMILES OC(=O)Cc1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated 2-arachidonoylglycerol oxygenation in LPS/IFN-gamma-stimulated mouse RAW264.7 cells assessed as 2-AG to PGE2-G/PGD2-G con...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50181914
PNG
(2-(2-Fluoro-biphenyl-4-yl)-2-methyl-propionic acid...)
Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C16H15FO2/c1-16(2,15(18)19)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
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n/an/a 5.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated 2-arachidonoylglycerol oxygenation in LPS/IFN-gamma-stimulated mouse RAW264.7 cells assessed as 2-AG to PGE2-G/PGD2-G con...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50392948
PNG
(CHEMBL194760)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C16H13FO2/c17-14-10-12(16(8-9-16)15(18)19)6-7-13(14)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)
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n/an/a 1.02E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated 2-arachidonoylglycerol oxygenation in LPS/IFN-gamma-stimulated mouse RAW264.7 cells assessed as 2-AG to PGE2-G/PGD2-G con...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50172473
PNG
((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...)
Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 16: 2219-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.033
BindingDB Entry DOI: 10.7270/Q2M32VC8
More data for this
Ligand-Target Pair