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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'takada' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365165
PNG
(CHEMBL1950017)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 5.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365164
PNG
(CHEMBL1950016)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(Cl)c(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H12ClFN2O3/c1-8-2-3-20-14(4-8)17(24)16-10(6-15(22)23)9-5-12(19)11(18)7-13(9)21-16/h2-5,7,21H,6H2,1H3,(H,22,23)
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365168
PNG
(CHEMBL1950020)
Show SMILES OC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(=O)c1cc2CCCCc2cn1
Show InChI InChI=1S/C20H17ClN2O3/c21-13-5-6-14-15(9-18(24)25)19(23-16(14)8-13)20(26)17-7-11-3-1-2-4-12(11)10-22-17/h5-8,10,23H,1-4,9H2,(H,24,25)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365167
PNG
(CHEMBL1950019)
Show SMILES CCc1cc(ncc1Cl)C(=O)c1[nH]c2cc(Cl)ccc2c1CC(O)=O
Show InChI InChI=1S/C18H14Cl2N2O3/c1-2-9-5-15(21-8-13(9)20)18(25)17-12(7-16(23)24)11-4-3-10(19)6-14(11)22-17/h3-6,8,22H,2,7H2,1H3,(H,23,24)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365162
PNG
(CHEMBL1950014)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365160
PNG
(CHEMBL1950012)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(cc2c1CC(O)=O)C(C)(C)C
Show InChI InChI=1S/C21H22N2O3/c1-12-7-8-22-17(9-12)20(26)19-15(11-18(24)25)14-10-13(21(2,3)4)5-6-16(14)23-19/h5-10,23H,11H2,1-4H3,(H,24,25)
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n/an/a 42n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365164
PNG
(CHEMBL1950016)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(Cl)c(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H12ClFN2O3/c1-8-2-3-20-14(4-8)17(24)16-10(6-15(22)23)9-5-12(19)11(18)7-13(9)21-16/h2-5,7,21H,6H2,1H3,(H,22,23)
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n/an/a 66n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365164
PNG
(CHEMBL1950016)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(Cl)c(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H12ClFN2O3/c1-8-2-3-20-14(4-8)17(24)16-10(6-15(22)23)9-5-12(19)11(18)7-13(9)21-16/h2-5,7,21H,6H2,1H3,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365158
PNG
(CHEMBL1950010)
Show SMILES COc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 128n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365166
PNG
(CHEMBL1950018)
Show SMILES COc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-8-11(24-2)3-4-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 128n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365165
PNG
(CHEMBL1950017)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 150n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365165
PNG
(CHEMBL1950017)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 150n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 155n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365159
PNG
(CHEMBL1950011)
Show SMILES CCc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-13-14(10-17(22)23)18(21-15(13)9-12)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 414n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365163
PNG
(CHEMBL1950015)
Show SMILES CCc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C19H15F3N2O4/c1-2-10-5-6-23-15(7-10)18(27)17-13(9-16(25)26)12-8-11(28-19(20,21)22)3-4-14(12)24-17/h3-8,24H,2,9H2,1H3,(H,25,26)
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n/an/a 421n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365169
PNG
(CHEMBL1950021)
Show SMILES CCOc1cnc(cc1CC)C(=O)c1[nH]c2cc(Cl)ccc2c1CC(O)=O
Show InChI InChI=1S/C20H19ClN2O4/c1-3-11-7-16(22-10-17(11)27-4-2)20(26)19-14(9-18(24)25)13-6-5-12(21)8-15(13)23-19/h5-8,10,23H,3-4,9H2,1-2H3,(H,24,25)
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n/an/a 598n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 849n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365162
PNG
(CHEMBL1950014)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365160
PNG
(CHEMBL1950012)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(cc2c1CC(O)=O)C(C)(C)C
Show InChI InChI=1S/C21H22N2O3/c1-12-7-8-22-17(9-12)20(26)19-15(11-18(24)25)14-10-13(21(2,3)4)5-6-16(14)23-19/h5-10,23H,11H2,1-4H3,(H,24,25)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365162
PNG
(CHEMBL1950014)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365158
PNG
(CHEMBL1950010)
Show SMILES COc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365166
PNG
(CHEMBL1950018)
Show SMILES COc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-8-11(24-2)3-4-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365166
PNG
(CHEMBL1950018)
Show SMILES COc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-8-11(24-2)3-4-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365163
PNG
(CHEMBL1950015)
Show SMILES CCc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C19H15F3N2O4/c1-2-10-5-6-23-15(7-10)18(27)17-13(9-16(25)26)12-8-11(28-19(20,21)22)3-4-14(12)24-17/h3-8,24H,2,9H2,1H3,(H,25,26)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365164
PNG
(CHEMBL1950016)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(Cl)c(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H12ClFN2O3/c1-8-2-3-20-14(4-8)17(24)16-10(6-15(22)23)9-5-12(19)11(18)7-13(9)21-16/h2-5,7,21H,6H2,1H3,(H,22,23)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365168
PNG
(CHEMBL1950020)
Show SMILES OC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(=O)c1cc2CCCCc2cn1
Show InChI InChI=1S/C20H17ClN2O3/c21-13-5-6-14-15(9-18(24)25)19(23-16(14)8-13)20(26)17-7-11-3-1-2-4-12(11)10-22-17/h5-8,10,23H,1-4,9H2,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365169
PNG
(CHEMBL1950021)
Show SMILES CCOc1cnc(cc1CC)C(=O)c1[nH]c2cc(Cl)ccc2c1CC(O)=O
Show InChI InChI=1S/C20H19ClN2O4/c1-3-11-7-16(22-10-17(11)27-4-2)20(26)19-14(9-18(24)25)13-6-5-12(21)8-15(13)23-19/h5-8,10,23H,3-4,9H2,1-2H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365158
PNG
(CHEMBL1950010)
Show SMILES COc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365163
PNG
(CHEMBL1950015)
Show SMILES CCc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C19H15F3N2O4/c1-2-10-5-6-23-15(7-10)18(27)17-13(9-16(25)26)12-8-11(28-19(20,21)22)3-4-14(12)24-17/h3-8,24H,2,9H2,1H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365159
PNG
(CHEMBL1950011)
Show SMILES CCc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-13-14(10-17(22)23)18(21-15(13)9-12)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365167
PNG
(CHEMBL1950019)
Show SMILES CCc1cc(ncc1Cl)C(=O)c1[nH]c2cc(Cl)ccc2c1CC(O)=O
Show InChI InChI=1S/C18H14Cl2N2O3/c1-2-9-5-15(21-8-13(9)20)18(25)17-12(7-16(23)24)11-4-3-10(19)6-14(11)22-17/h3-6,8,22H,2,7H2,1H3,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365165
PNG
(CHEMBL1950017)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(F)cc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365157
PNG
(CHEMBL1950009)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2cc(F)ccc2c1CC(O)=O
Show InChI InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-3-2-10(18)7-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
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n/an/a 3.35E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365161
PNG
(CHEMBL1950013)
Show SMILES CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-12-4-5-15-13(9-12)14(10-17(22)23)18(21-15)19(24)16-8-11(2)6-7-20-16/h4-9,21H,3,10H2,1-2H3,(H,22,23)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365166
PNG
(CHEMBL1950018)
Show SMILES COc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(O)=O)c2c1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-8-11(24-2)3-4-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365158
PNG
(CHEMBL1950010)
Show SMILES COc1ccc2c(CC(O)=O)c([nH]c2c1)C(=O)c1cc(C)ccn1
Show InChI InChI=1S/C18H16N2O4/c1-10-5-6-19-15(7-10)18(23)17-13(9-16(21)22)12-4-3-11(24-2)8-14(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365163
PNG
(CHEMBL1950015)
Show SMILES CCc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C19H15F3N2O4/c1-2-10-5-6-23-15(7-10)18(27)17-13(9-16(25)26)12-8-11(28-19(20,21)22)3-4-14(12)24-17/h3-8,24H,2,9H2,1H3,(H,25,26)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50365162
PNG
(CHEMBL1950014)
Show SMILES Cc1ccnc(c1)C(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1CC(O)=O
Show InChI InChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)
PDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50219337
PNG
(CHEMBL3349573)
Show SMILES OC[C@@H](OS([O-])(=O)=O)[C@@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@@H]1CO
Show InChI InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6+,7+,8-,9-,19+/m0/s1
PDB

NCI pathway
KEGG

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n/an/a 3.40E+6n/an/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
In vitro functional activity at Alpha-1A adrenergic receptor in rat vas deferens


Bioorg Med Chem Lett 11: 1137-9 (2001)


BindingDB Entry DOI: 10.7270/Q2V987BW
More data for this
Ligand-Target Pair