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PubMed code 21570309

Compile data set for download or QSAR
Found 42 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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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n/an/a 160n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
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 300n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344879
PNG
(2-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1nn(c(c1C=C1CCCC1=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClF3N2O/c23-16-11-9-14(10-12-16)20-18(13-15-5-4-8-19(15)29)21(22(24,25)26)27-28(20)17-6-2-1-3-7-17/h1-3,6-7,9-13H,4-5,8H2
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344875
PNG
(3-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES CCN1CCC(=O)C(C1)=Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N3O/c1-2-30-13-12-21(32)17(15-30)14-20-22(16-8-10-18(25)11-9-16)31(19-6-4-3-5-7-19)29-23(20)24(26,27)28/h3-11,14H,2,12-13,15H2,1H3
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344885
PNG
(1-(4-Chlorophenyl)-2-(2-(3,5-bis(trifluoromethyl)p...)
Show SMILES FC(F)(F)C(=O)C(=NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H8ClF9N2O2/c19-11-3-1-8(2-4-11)14(31)13(15(32)18(26,27)28)30-29-12-6-9(16(20,21)22)5-10(7-12)17(23,24)25/h1-7,29H
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344878
PNG
(5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H...)
Show SMILES FC(F)(F)c1nn(c(c1C=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-8-6-11(7-9-12)15-14(10-24)16(17(19,20)21)22-23(15)13-4-2-1-3-5-13/h1-10H
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n/an/a 550n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344880
PNG
(1-(4-Chlorophenyl)-2-(2-(2-chlorophenyl)hydrazone)...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccccc1Cl)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N2O2/c17-10-7-5-9(6-8-10)14(24)13(15(25)16(19,20)21)23-22-12-4-2-1-3-11(12)18/h1-8,22H
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n/an/a 900n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344883
PNG
(1-(4-Chlorophenyl)-2-(2-(4-nitrophenyl)hydrazone)-...)
Show SMILES [O-][N+](=O)c1ccc(NN=C(C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C16H9ClF3N3O4/c17-10-3-1-9(2-4-10)14(24)13(15(25)16(18,19)20)22-21-11-5-7-12(8-6-11)23(26)27/h1-8,21H
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n/an/a 900n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344882
PNG
(1-(4-Chlorophenyl)-2-(2-(4-bromophenyl)hydrazone)-...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9BrClF3N2O2/c17-10-3-7-12(8-4-10)22-23-13(15(25)16(19,20)21)14(24)9-1-5-11(18)6-2-9/h1-8,22H
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n/an/a 910n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344881
PNG
(1-(4-Chlorophenyl)-2-(2-(4-chlorophenyl)hydrazone)...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N2O2/c17-10-3-1-9(2-4-10)14(24)13(15(25)16(19,20)21)23-22-12-7-5-11(18)6-8-12/h1-8,22H
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n/an/a 910n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344884
PNG
(1-(4-Chlorophenyl)-2-(2-(4-methoxyphenyl)hydrazone...)
Show SMILES COc1ccc(NN=C(C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C17H12ClF3N2O3/c1-26-13-8-6-12(7-9-13)22-23-14(16(25)17(19,20)21)15(24)10-2-4-11(18)5-3-10/h2-9,22H,1H3
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n/an/a 2.95E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344888
PNG
(3-(4-Chlorophenyl)-4-(2-(4-bromophenyl)hydrazono)-...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1ccc(Br)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9BrClF3N4/c17-10-3-7-12(8-4-10)22-24-14-13(9-1-5-11(18)6-2-9)23-25-15(14)16(19,20)21/h1-8H,(H,23,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344874
PNG
(3-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES CN1CCC(=O)C(C1)=Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H19ClF3N3O/c1-29-12-11-20(31)16(14-29)13-19-21(15-7-9-17(24)10-8-15)30(18-5-3-2-4-6-18)28-22(19)23(25,26)27/h2-10,13H,11-12,14H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344887
PNG
(3-(4-Chlorophenyl)-4-(2-(4-chlorophenyl)hydrazono)...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1ccc(Cl)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N4/c17-10-3-1-9(2-4-10)13-14(15(25-23-13)16(19,20)21)24-22-12-7-5-11(18)6-8-12/h1-8H,(H,23,25)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344891
PNG
(3-(4-Chlorophenyl)-4-(2-(3,5-bis(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H8ClF9N4/c19-11-3-1-8(2-4-11)13-14(15(32-30-13)18(26,27)28)31-29-12-6-9(16(20,21)22)5-10(7-12)17(23,24)25/h1-7H,(H,30,32)
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344876
PNG
(3-(5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1nn(c(c1\C=C\C(=O)c1ccccc1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C25H16ClF3N2O/c26-19-13-11-18(12-14-19)23-21(15-16-22(32)17-7-3-1-4-8-17)24(25(27,28)29)30-31(23)20-9-5-2-6-10-20/h1-16H/b16-15+
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344886
PNG
(3-(4-Chlorophenyl)-4-(2-(2-chlorophenyl)hydrazono)...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N4/c17-10-7-5-9(6-8-10)13-14(15(25-23-13)16(19,20)21)24-22-12-4-2-1-3-11(12)18/h1-8H,(H,23,25)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344877
PNG
(1-(4-Chlorophenyl)-3-(5-(4-chlorophenyl)-1-phenyl-...)
Show SMILES FC(F)(F)c1nn(c(c1\C=C\C(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C25H15Cl2F3N2O/c26-18-10-6-16(7-11-18)22(33)15-14-21-23(17-8-12-19(27)13-9-17)32(20-4-2-1-3-5-20)31-24(21)25(28,29)30/h1-15H/b15-14+
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344873
PNG
(2-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1nn(c(c1C=C1CCCCC1=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClF3N2O/c24-17-12-10-15(11-13-17)21-19(14-16-6-4-5-9-20(16)30)22(23(25,26)27)28-29(21)18-7-2-1-3-8-18/h1-3,7-8,10-14H,4-6,9H2
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344889
PNG
(3-(4-Chlorophenyl)-4-(2-(4-nitrophenyl)hydrazono)-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1c(n[n-]c1C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H8ClF3N5O2/c17-10-3-1-9(2-4-10)13-14(15(24-22-13)16(18,19)20)23-21-11-5-7-12(8-6-11)25(26)27/h1-8H/q-1/p+1/b23-21+
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344890
PNG
(3-(4-Chlorophenyl)-4-(2-(4-methoxyphenyl)hydrazono...)
Show SMILES COc1ccc(cc1)N=Nc1c(n[nH]c1C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClF3N4O/c1-26-13-8-6-12(7-9-13)22-24-15-14(10-2-4-11(18)5-3-10)23-25-16(15)17(19,20)21/h2-9H,1H3,(H,23,25)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344878
PNG
(5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H...)
Show SMILES FC(F)(F)c1nn(c(c1C=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-8-6-11(7-9-12)15-14(10-24)16(17(19,20)21)22-23(15)13-4-2-1-3-5-13/h1-10H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344879
PNG
(2-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1nn(c(c1C=C1CCCC1=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClF3N2O/c23-16-11-9-14(10-12-16)20-18(13-15-5-4-8-19(15)29)21(22(24,25)26)27-28(20)17-6-2-1-3-7-17/h1-3,6-7,9-13H,4-5,8H2
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344890
PNG
(3-(4-Chlorophenyl)-4-(2-(4-methoxyphenyl)hydrazono...)
Show SMILES COc1ccc(cc1)N=Nc1c(n[nH]c1C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClF3N4O/c1-26-13-8-6-12(7-9-13)22-24-15-14(10-2-4-11(18)5-3-10)23-25-16(15)17(19,20)21/h2-9H,1H3,(H,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344891
PNG
(3-(4-Chlorophenyl)-4-(2-(3,5-bis(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H8ClF9N4/c19-11-3-1-8(2-4-11)13-14(15(32-30-13)18(26,27)28)31-29-12-6-9(16(20,21)22)5-10(7-12)17(23,24)25/h1-7H,(H,30,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344886
PNG
(3-(4-Chlorophenyl)-4-(2-(2-chlorophenyl)hydrazono)...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N4/c17-10-7-5-9(6-8-10)13-14(15(25-23-13)16(19,20)21)24-22-12-4-2-1-3-11(12)18/h1-8H,(H,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344883
PNG
(1-(4-Chlorophenyl)-2-(2-(4-nitrophenyl)hydrazone)-...)
Show SMILES [O-][N+](=O)c1ccc(NN=C(C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C16H9ClF3N3O4/c17-10-3-1-9(2-4-10)14(24)13(15(25)16(18,19)20)22-21-11-5-7-12(8-6-11)23(26)27/h1-8,21H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344888
PNG
(3-(4-Chlorophenyl)-4-(2-(4-bromophenyl)hydrazono)-...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1ccc(Br)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9BrClF3N4/c17-10-3-7-12(8-4-10)22-24-14-13(9-1-5-11(18)6-2-9)23-25-15(14)16(19,20)21/h1-8H,(H,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344889
PNG
(3-(4-Chlorophenyl)-4-(2-(4-nitrophenyl)hydrazono)-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1c(n[n-]c1C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H8ClF3N5O2/c17-10-3-1-9(2-4-10)13-14(15(24-22-13)16(18,19)20)23-21-11-5-7-12(8-6-11)25(26)27/h1-8H/q-1/p+1/b23-21+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344873
PNG
(2-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1nn(c(c1C=C1CCCCC1=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClF3N2O/c24-17-12-10-15(11-13-17)21-19(14-16-6-4-5-9-20(16)30)22(23(25,26)27)28-29(21)18-7-2-1-3-8-18/h1-3,7-8,10-14H,4-6,9H2
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344874
PNG
(3-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES CN1CCC(=O)C(C1)=Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H19ClF3N3O/c1-29-12-11-20(31)16(14-29)13-19-21(15-7-9-17(24)10-8-15)30(18-5-3-2-4-6-18)28-22(19)23(25,26)27/h2-10,13H,11-12,14H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344876
PNG
(3-(5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1nn(c(c1\C=C\C(=O)c1ccccc1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C25H16ClF3N2O/c26-19-13-11-18(12-14-19)23-21(15-16-22(32)17-7-3-1-4-8-17)24(25(27,28)29)30-31(23)20-9-5-2-6-10-20/h1-16H/b16-15+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344881
PNG
(1-(4-Chlorophenyl)-2-(2-(4-chlorophenyl)hydrazone)...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N2O2/c17-10-3-1-9(2-4-10)14(24)13(15(25)16(19,20)21)23-22-12-7-5-11(18)6-8-12/h1-8,22H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344877
PNG
(1-(4-Chlorophenyl)-3-(5-(4-chlorophenyl)-1-phenyl-...)
Show SMILES FC(F)(F)c1nn(c(c1\C=C\C(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C25H15Cl2F3N2O/c26-18-10-6-16(7-11-18)22(33)15-14-21-23(17-8-12-19(27)13-9-17)32(20-4-2-1-3-5-20)31-24(21)25(28,29)30/h1-15H/b15-14+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344885
PNG
(1-(4-Chlorophenyl)-2-(2-(3,5-bis(trifluoromethyl)p...)
Show SMILES FC(F)(F)C(=O)C(=NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H8ClF9N2O2/c19-11-3-1-8(2-4-11)14(31)13(15(32)18(26,27)28)30-29-12-6-9(16(20,21)22)5-10(7-12)17(23,24)25/h1-7,29H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344875
PNG
(3-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES CCN1CCC(=O)C(C1)=Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N3O/c1-2-30-13-12-21(32)17(15-30)14-20-22(16-8-10-18(25)11-9-16)31(19-6-4-3-5-7-19)29-23(20)24(26,27)28/h3-11,14H,2,12-13,15H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344887
PNG
(3-(4-Chlorophenyl)-4-(2-(4-chlorophenyl)hydrazono)...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1ccc(Cl)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N4/c17-10-3-1-9(2-4-10)13-14(15(25-23-13)16(19,20)21)24-22-12-7-5-11(18)6-8-12/h1-8H,(H,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344884
PNG
(1-(4-Chlorophenyl)-2-(2-(4-methoxyphenyl)hydrazone...)
Show SMILES COc1ccc(NN=C(C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C17H12ClF3N2O3/c1-26-13-8-6-12(7-9-13)22-23-14(16(25)17(19,20)21)15(24)10-2-4-11(18)5-3-10/h2-9,22H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344880
PNG
(1-(4-Chlorophenyl)-2-(2-(2-chlorophenyl)hydrazone)...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccccc1Cl)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N2O2/c17-10-7-5-9(6-8-10)14(24)13(15(25)16(19,20)21)23-22-12-4-2-1-3-11(12)18/h1-8,22H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50344882
PNG
(1-(4-Chlorophenyl)-2-(2-(4-bromophenyl)hydrazone)-...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9BrClF3N2O2/c17-10-3-7-12(8-4-10)22-23-13(15(25)16(19,20)21)14(24)9-1-5-11(18)6-2-9/h1-8,22H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%