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Patent code US9388139

Compile Data Set for Download or QSAR
Found 97 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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US Patent
n/an/a 500n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM54632
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236641
PNG
(US9388139, 9)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1cccc(OC)c1 |c:11|
Show InChI InChI=1S/C24H22N2O4/c1-29-20-12-8-16(9-13-20)23-15-22(18-4-3-5-21(14-18)30-2)25-26(23)19-10-6-17(7-11-19)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236648
PNG
(US9388139, 17)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236651
PNG
(US9388139, 20)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(Cl)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236634
PNG
(US9388139, 1)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:11|
Show InChI InChI=1S/C21H24N2O3/c1-21(2,3)19-13-18(14-7-11-17(26-4)12-8-14)23(22-19)16-9-5-15(6-10-16)20(24)25/h5-12,18H,13H2,1-4H3,(H,24,25)
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n/an/a 2.02E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236638
PNG
(US9388139, 5)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(O)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H22N2O3/c1-20(2,3)18-12-17(13-6-10-16(23)11-7-13)22(21-18)15-8-4-14(5-9-15)19(24)25/h4-11,17,23H,12H2,1-3H3,(H,24,25)
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n/an/a 2.10E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236650
PNG
(US9388139, 19)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(F)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21FN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 2.70E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236646
PNG
(US9388139, 15)
Show SMILES CCOc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:12|
Show InChI InChI=1S/C22H26N2O3/c1-5-27-18-12-8-15(9-13-18)19-14-20(22(2,3)4)23-24(19)17-10-6-16(7-11-17)21(25)26/h6-13,19H,5,14H2,1-4H3,(H,25,26)
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n/an/a 2.90E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236658
PNG
(US9388139, 27)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C23H19FN2O3/c1-29-20-12-6-16(7-13-20)22-14-21(15-2-8-18(24)9-3-15)25-26(22)19-10-4-17(5-11-19)23(27)28/h2-13,22H,14H2,1H3,(H,27,28)
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n/an/a 3.10E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236647
PNG
(US9388139, 16)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(Br)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 3.10E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236640
PNG
(US9388139, 8)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1OC |c:11|
Show InChI InChI=1S/C24H22N2O4/c1-29-19-13-9-16(10-14-19)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)18-11-7-17(8-12-18)24(27)28/h3-14,22H,15H2,1-2H3,(H,27,28)
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n/an/a 3.20E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236636
PNG
(US9388139, 3)
Show SMILES CC(C)C1=NN(C(C1)c1cccc(c1)[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:3|
Show InChI InChI=1S/C19H19N3O4/c1-12(2)17-11-18(14-4-3-5-16(10-14)22(25)26)21(20-17)15-8-6-13(7-9-15)19(23)24/h3-10,12,18H,11H2,1-2H3,(H,23,24)
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n/an/a 3.20E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236649
PNG
(US9388139, 18)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1F)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21FN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236656
PNG
(US9388139, 25)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)S(O)(=O)=O |t:4|
Show InChI InChI=1S/C19H21FN2O3S/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)22(21-18)15-8-10-16(11-9-15)26(23,24)25/h4-11,17H,12H2,1-3H3,(H,23,24,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a 3.70E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM43220
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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n/an/a 3.80E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236644
PNG
(US9388139, 13)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(13-6-9-15(21)16(22)10-13)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a 5.50E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236635
PNG
(US9388139, 2)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)18-12-17(13-4-10-16(11-5-13)23(26)27)22(21-18)15-8-6-14(7-9-15)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 5.70E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236653
PNG
(US9388139, 22)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H22N2O2/c1-20(2,3)18-13-17(14-7-5-4-6-8-14)22(21-18)16-11-9-15(10-12-16)19(23)24/h4-12,17H,13H2,1-3H3,(H,23,24)
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n/an/a 6.22E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236642
PNG
(US9388139, 10)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(OC)c(OC)c1 |c:11|
Show InChI InChI=1S/C25H24N2O5/c1-30-20-11-6-16(7-12-20)22-15-21(18-8-13-23(31-2)24(14-18)32-3)26-27(22)19-9-4-17(5-10-19)25(28)29/h4-14,22H,15H2,1-3H3,(H,28,29)
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n/an/a 6.90E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236645
PNG
(US9388139, 14)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1Br)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 6.90E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236657
PNG
(US9388139, 26)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccc(cc1)S(O)(=O)=O |t:4|
Show InChI InChI=1S/C19H21ClN2O3S/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)22(21-18)15-8-10-16(11-9-15)26(23,24)25/h4-11,17H,12H2,1-3H3,(H,23,24,25)
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n/an/a 7.20E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236655
PNG
(US9388139, 24)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(13-4-8-15(21)9-5-13)23(22-18)16-10-6-14(7-11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 7.70E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236654
PNG
(US9388139, 23)
Show SMILES Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:10|
Show InChI InChI=1S/C21H24N2O2/c1-14-5-7-15(8-6-14)18-13-19(21(2,3)4)22-23(18)17-11-9-16(10-12-17)20(24)25/h5-12,18H,13H2,1-4H3,(H,24,25)
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n/an/a 8.40E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236652
PNG
(US9388139, 21)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(13-4-8-15(21)9-5-13)23(22-18)16-10-6-14(7-11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 8.70E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236639
PNG
(US9388139, 6)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1cccc(c1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(13-7-9-15(21)10-8-13)23(22-18)16-6-4-5-14(11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a 9.90E+3n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 2.30E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM236637
PNG
(US9388139, 4)
Show SMILES COc1cc(ccc1C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C)C(O)=O |c:11|
Show InChI InChI=1S/C22H24N2O5/c1-22(2,3)19-12-17(16-10-7-14(21(27)28)11-18(16)29-4)24(23-19)15-8-5-13(6-9-15)20(25)26/h5-11,17H,12H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a 2.35E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 3.60E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Isoform PDE2A1 of cGMP-dependent 3',5'-cyclic phosphodiesterase (PDE2A1)


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Isoform 4 of Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A (PDE11A1)


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Isoform 4 of Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A (PDE11A1)


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Isoform PDE2A1 of cGMP-dependent 3',5'-cyclic phosphodiesterase (PDE2A1)


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236638
PNG
(US9388139, 5)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(O)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H22N2O3/c1-20(2,3)18-12-17(13-6-10-16(23)11-7-13)22(21-18)15-8-4-14(5-9-15)19(24)25/h4-11,17,23H,12H2,1-3H3,(H,24,25)
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UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236648
PNG
(US9388139, 17)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236647
PNG
(US9388139, 16)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(Br)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236639
PNG
(US9388139, 6)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1cccc(c1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(13-7-9-15(21)10-8-13)23(22-18)16-6-4-5-14(11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236642
PNG
(US9388139, 10)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(OC)c(OC)c1 |c:11|
Show InChI InChI=1S/C25H24N2O5/c1-30-20-11-6-16(7-12-20)22-15-21(18-8-13-23(31-2)24(14-18)32-3)26-27(22)19-9-4-17(5-10-19)25(28)29/h4-14,22H,15H2,1-3H3,(H,28,29)
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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236647
PNG
(US9388139, 16)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(Br)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236634
PNG
(US9388139, 1)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:11|
Show InChI InChI=1S/C21H24N2O3/c1-21(2,3)19-13-18(14-7-11-17(26-4)12-8-14)23(22-19)16-9-5-15(6-10-16)20(24)25/h5-12,18H,13H2,1-4H3,(H,24,25)
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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236636
PNG
(US9388139, 3)
Show SMILES CC(C)C1=NN(C(C1)c1cccc(c1)[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:3|
Show InChI InChI=1S/C19H19N3O4/c1-12(2)17-11-18(14-4-3-5-16(10-14)22(25)26)21(20-17)15-8-6-13(7-9-15)19(23)24/h3-10,12,18H,11H2,1-2H3,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236638
PNG
(US9388139, 5)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(O)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H22N2O3/c1-20(2,3)18-12-17(13-6-10-16(23)11-7-13)22(21-18)15-8-4-14(5-9-15)19(24)25/h4-11,17,23H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236649
PNG
(US9388139, 18)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1F)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21FN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236656
PNG
(US9388139, 25)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)S(O)(=O)=O |t:4|
Show InChI InChI=1S/C19H21FN2O3S/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)22(21-18)15-8-10-16(11-9-15)26(23,24)25/h4-11,17H,12H2,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236634
PNG
(US9388139, 1)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:11|
Show InChI InChI=1S/C21H24N2O3/c1-21(2,3)19-13-18(14-7-11-17(26-4)12-8-14)23(22-19)16-9-5-15(6-10-16)20(24)25/h5-12,18H,13H2,1-4H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236639
PNG
(US9388139, 6)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1cccc(c1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(13-7-9-15(21)10-8-13)23(22-18)16-6-4-5-14(11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236645
PNG
(US9388139, 14)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1Br)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236657
PNG
(US9388139, 26)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccc(cc1)S(O)(=O)=O |t:4|
Show InChI InChI=1S/C19H21ClN2O3S/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)22(21-18)15-8-10-16(11-9-15)26(23,24)25/h4-11,17H,12H2,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236637
PNG
(US9388139, 4)
Show SMILES COc1cc(ccc1C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C)C(O)=O |c:11|
Show InChI InChI=1S/C22H24N2O5/c1-22(2,3)19-12-17(16-10-7-14(21(27)28)11-18(16)29-4)24(23-19)15-8-5-13(6-9-15)20(25)26/h5-11,17H,12H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM54632
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM43220
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236644
PNG
(US9388139, 13)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(13-6-9-15(21)16(22)10-13)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236646
PNG
(US9388139, 15)
Show SMILES CCOc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:12|
Show InChI InChI=1S/C22H26N2O3/c1-5-27-18-12-8-15(9-13-18)19-14-20(22(2,3)4)23-24(19)17-10-6-16(7-11-17)21(25)26/h6-13,19H,5,14H2,1-4H3,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236650
PNG
(US9388139, 19)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(F)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21FN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236651
PNG
(US9388139, 20)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(Cl)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236657
PNG
(US9388139, 26)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccc(cc1)S(O)(=O)=O |t:4|
Show InChI InChI=1S/C19H21ClN2O3S/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)22(21-18)15-8-10-16(11-9-15)26(23,24)25/h4-11,17H,12H2,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236644
PNG
(US9388139, 13)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(13-6-9-15(21)16(22)10-13)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236653
PNG
(US9388139, 22)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H22N2O2/c1-20(2,3)18-13-17(14-7-5-4-6-8-14)22(21-18)16-11-9-15(10-12-16)19(23)24/h4-12,17H,13H2,1-3H3,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236655
PNG
(US9388139, 24)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(13-4-8-15(21)9-5-13)23(22-18)16-10-6-14(7-11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM54632
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236646
PNG
(US9388139, 15)
Show SMILES CCOc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:12|
Show InChI InChI=1S/C22H26N2O3/c1-5-27-18-12-8-15(9-13-18)19-14-20(22(2,3)4)23-24(19)17-10-6-16(7-11-17)21(25)26/h6-13,19H,5,14H2,1-4H3,(H,25,26)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236651
PNG
(US9388139, 20)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(Cl)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236652
PNG
(US9388139, 21)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(13-4-8-15(21)9-5-13)23(22-18)16-10-6-14(7-11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236654
PNG
(US9388139, 23)
Show SMILES Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:10|
Show InChI InChI=1S/C21H24N2O2/c1-14-5-7-15(8-6-14)18-13-19(21(2,3)4)22-23(18)17-11-9-16(10-12-17)20(24)25/h5-12,18H,13H2,1-4H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236656
PNG
(US9388139, 25)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)S(O)(=O)=O |t:4|
Show InChI InChI=1S/C19H21FN2O3S/c1-19(2,3)18-12-17(13-4-6-14(20)7-5-13)22(21-18)15-8-10-16(11-9-15)26(23,24)25/h4-11,17H,12H2,1-3H3,(H,23,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236635
PNG
(US9388139, 2)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)18-12-17(13-4-10-16(11-5-13)23(26)27)22(21-18)15-8-6-14(7-9-15)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236640
PNG
(US9388139, 8)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1OC |c:11|
Show InChI InChI=1S/C24H22N2O4/c1-29-19-13-9-16(10-14-19)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)18-11-7-17(8-12-18)24(27)28/h3-14,22H,15H2,1-2H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236652
PNG
(US9388139, 21)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(13-4-8-15(21)9-5-13)23(22-18)16-10-6-14(7-11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236658
PNG
(US9388139, 27)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C23H19FN2O3/c1-29-20-12-6-16(7-13-20)22-14-21(15-2-8-18(24)9-3-15)25-26(22)19-10-4-17(5-11-19)23(27)28/h2-13,22H,14H2,1H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236648
PNG
(US9388139, 17)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236650
PNG
(US9388139, 19)
Show SMILES CC(C)(C)C1=NN(C(C1)c1cccc(F)c1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21FN2O2/c1-20(2,3)18-12-17(14-5-4-6-15(21)11-14)23(22-18)16-9-7-13(8-10-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236643
PNG
(US9388139, 12)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236654
PNG
(US9388139, 23)
Show SMILES Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C |c:10|
Show InChI InChI=1S/C21H24N2O2/c1-14-5-7-15(8-6-14)18-13-19(21(2,3)4)22-23(18)17-11-9-16(10-12-17)20(24)25/h5-12,18H,13H2,1-4H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236641
PNG
(US9388139, 9)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1cccc(OC)c1 |c:11|
Show InChI InChI=1S/C24H22N2O4/c1-29-20-12-8-16(9-13-20)23-15-22(18-4-3-5-21(14-18)30-2)25-26(23)19-10-6-17(7-11-19)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236635
PNG
(US9388139, 2)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)18-12-17(13-4-10-16(11-5-13)23(26)27)22(21-18)15-8-6-14(7-9-15)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236636
PNG
(US9388139, 3)
Show SMILES CC(C)C1=NN(C(C1)c1cccc(c1)[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:3|
Show InChI InChI=1S/C19H19N3O4/c1-12(2)17-11-18(14-4-3-5-16(10-14)22(25)26)21(20-17)15-8-6-13(7-9-15)19(23)24/h3-10,12,18H,11H2,1-2H3,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236637
PNG
(US9388139, 4)
Show SMILES COc1cc(ccc1C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C)C(O)=O |c:11|
Show InChI InChI=1S/C22H24N2O5/c1-22(2,3)19-12-17(16-10-7-14(21(27)28)11-18(16)29-4)24(23-19)15-8-5-13(6-9-15)20(25)26/h5-11,17H,12H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236640
PNG
(US9388139, 8)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1OC |c:11|
Show InChI InChI=1S/C24H22N2O4/c1-29-19-13-9-16(10-14-19)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)18-11-7-17(8-12-18)24(27)28/h3-14,22H,15H2,1-2H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236641
PNG
(US9388139, 9)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1cccc(OC)c1 |c:11|
Show InChI InChI=1S/C24H22N2O4/c1-29-20-12-8-16(9-13-20)23-15-22(18-4-3-5-21(14-18)30-2)25-26(23)19-10-6-17(7-11-19)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM43220
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236649
PNG
(US9388139, 18)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1F)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21FN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236653
PNG
(US9388139, 22)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H22N2O2/c1-20(2,3)18-13-17(14-7-5-4-6-8-14)22(21-18)16-11-9-15(10-12-16)19(23)24/h4-12,17H,13H2,1-3H3,(H,23,24)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236655
PNG
(US9388139, 24)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(13-4-8-15(21)9-5-13)23(22-18)16-10-6-14(7-11-16)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236658
PNG
(US9388139, 27)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C23H19FN2O3/c1-29-20-12-6-16(7-13-20)22-14-21(15-2-8-18(24)9-3-15)25-26(22)19-10-4-17(5-11-19)23(27)28/h2-13,22H,14H2,1H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM236645
PNG
(US9388139, 14)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccccc1Br)c1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C20H21BrN2O2/c1-20(2,3)18-12-17(15-6-4-5-7-16(15)21)23(22-18)14-10-8-13(9-11-14)19(24)25/h4-11,17H,12H2,1-3H3,(H,24,25)
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German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM236642
PNG
(US9388139, 10)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccc(OC)c(OC)c1 |c:11|
Show InChI InChI=1S/C25H24N2O5/c1-30-20-11-6-16(7-12-20)22-15-21(18-8-13-23(31-2)24(14-18)32-3)26-27(22)19-9-4-17(5-10-19)25(28)29/h4-14,22H,15H2,1-3H3,(H,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



German University; Southern Research Institute

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as ...

US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%