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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P00403   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM50229774
PNG
(CHEMBL254418 | N-Hydroxy-4-(5-methyl-3-phenylisoxa...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(=O)(=O)NO)-c1ccccc1
Show InChI InChI=1S/C16H14N2O4S/c1-11-15(16(17-22-11)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(20,21)18-19/h2-10,18-19H,1H3
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cyclooxygenase 2


Bioorg Med Chem 16: 5322-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.088
BindingDB Entry DOI: 10.7270/Q2FT8KS9
More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 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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n/an/a 540n/an/an/an/an/an/a



University of Torino

Curated by ChEMBL


Assay Description
Thromboxane (TXA2) receptor antagonist activity using human platelet


Eur J Med Chem 139: 936-946 (2017)

More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 610n/an/an/an/an/an/a



University of Torino

Curated by ChEMBL


Assay Description
Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea


Eur J Med Chem 139: 936-946 (2017)

More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cyclooxygenase 2


Bioorg Med Chem 16: 5322-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.088
BindingDB Entry DOI: 10.7270/Q2FT8KS9
More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Torino

Curated by ChEMBL


Assay Description
Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea


Eur J Med Chem 139: 936-946 (2017)

More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM50277998
PNG
(CHEMBL4174786)
Show SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O3/c1-28-14-7-5-11(6-8-14)10-25-15(17(27)23-24-25)16(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-9,27H,10H2,1H3,(H,22,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Torino

Curated by ChEMBL


Assay Description
Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea


Eur J Med Chem 139: 936-946 (2017)

More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM50278013
PNG
(CHEMBL4166887)
Show SMILES Oc1nnn(Cc2ccccc2)c1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)12-7-4-8-13(9-12)21-15(25)14-16(26)22-23-24(14)10-11-5-2-1-3-6-11/h1-9,26H,10H2,(H,21,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Torino

Curated by ChEMBL


Assay Description
Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea


Eur J Med Chem 139: 936-946 (2017)

More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM50277997
PNG
(CHEMBL4159654)
Show SMILES Oc1nnn(CC2CC2)c1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O2/c15-14(16,17)9-2-1-3-10(6-9)18-12(22)11-13(23)19-20-21(11)7-8-4-5-8/h1-3,6,8,23H,4-5,7H2,(H,18,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Torino

Curated by ChEMBL


Assay Description
Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea


Eur J Med Chem 139: 936-946 (2017)

More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM17636
PNG
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Torino

Curated by ChEMBL


Assay Description
Thromboxane (TXA2) receptor antagonist activity using human platelet


Eur J Med Chem 139: 936-946 (2017)

More data for this
Ligand-Target Pair