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PubMed code 30031652

Compile data set for download or QSAR
Found 62 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))		BDBM50463077
PNG
(CHEMBL4249752)
Show SMILES COc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(C)cc1
Show InChI InChI=1S/C35H28N2O7/c1-22-8-12-26(13-9-22)37-29(23-10-14-27(41-2)15-11-23)16-25(36-37)20-43-34(40)21-42-28-17-30(38)35-31(39)19-32(44-33(35)18-28)24-6-4-3-5-7-24/h3-19,38H,20-21H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463081
PNG
(CHEMBL4243440)
Show SMILES COc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H25ClN2O7/c1-41-26-13-7-21(8-14-26)28-15-24(36-37(28)25-11-9-23(35)10-12-25)19-43-33(40)20-42-27-16-29(38)34-30(39)18-31(44-32(34)17-27)22-5-3-2-4-6-22/h2-18,38H,19-20H2,1H3
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n/an/a 350n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
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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n/an/a 360n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463088
PNG
(CHEMBL4243589)
Show SMILES Cc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(C)cc1
Show InChI InChI=1S/C35H28N2O6/c1-22-8-12-24(13-9-22)29-16-26(36-37(29)27-14-10-23(2)11-15-27)20-42-34(40)21-41-28-17-30(38)35-31(39)19-32(43-33(35)18-28)25-6-4-3-5-7-25/h3-19,38H,20-21H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463078
PNG
(CHEMBL4248810)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(Cl)c3)n(n2)-c2ccc(Cl)cc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H22Cl2N2O6/c34-22-9-11-25(12-10-22)37-27(21-7-4-8-23(35)13-21)14-24(36-37)18-42-32(40)19-41-26-15-28(38)33-29(39)17-30(43-31(33)16-26)20-5-2-1-3-6-20/h1-17,38H,18-19H2
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n/an/a 422n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463067
PNG
(CHEMBL4239643)
Show SMILES COc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C34H26N2O7/c1-40-26-14-12-22(13-15-26)28-16-24(35-36(28)25-10-6-3-7-11-25)20-42-33(39)21-41-27-17-29(37)34-30(38)19-31(43-32(34)18-27)23-8-4-2-5-9-23/h2-19,37H,20-21H2,1H3
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n/an/a 540n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463076
PNG
(CHEMBL4239360)
Show SMILES Cc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C34H26N2O6/c1-22-12-14-23(15-13-22)28-16-25(35-36(28)26-10-6-3-7-11-26)20-41-33(39)21-40-27-17-29(37)34-30(38)19-31(42-32(34)18-27)24-8-4-2-5-9-24/h2-19,37H,20-21H2,1H3
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n/an/a 930n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463070
PNG
(CHEMBL4238329)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(Br)cc1
Show InChI InChI=1S/C34H25BrN2O6/c1-21-7-13-26(14-8-21)37-28(22-9-11-24(35)12-10-22)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463069
PNG
(CHEMBL4250212)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1cccc(C)c1
Show InChI InChI=1S/C35H28N2O6/c1-22-11-13-27(14-12-22)37-29(25-10-6-7-23(2)15-25)16-26(36-37)20-42-34(40)21-41-28-17-30(38)35-31(39)19-32(43-33(35)18-28)24-8-4-3-5-9-24/h3-19,38H,20-21H2,1-2H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463090
PNG
(CHEMBL4239213)
Show SMILES COc1cccc(c1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C34H26N2O7/c1-40-26-14-8-11-23(15-26)28-16-24(35-36(28)25-12-6-3-7-13-25)20-42-33(39)21-41-27-17-29(37)34-30(38)19-31(43-32(34)18-27)22-9-4-2-5-10-22/h2-19,37H,20-21H2,1H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463080
PNG
(CHEMBL4242144)
Show SMILES Cc1cccc(c1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C34H26N2O6/c1-22-9-8-12-24(15-22)28-16-25(35-36(28)26-13-6-3-7-14-26)20-41-33(39)21-40-27-17-29(37)34-30(38)19-31(42-32(34)18-27)23-10-4-2-5-11-23/h2-19,37H,20-21H2,1H3
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n/an/a 1.36E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463061
PNG
(CHEMBL4242859)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C34H25N3O8/c1-21-7-11-25(12-8-21)36-28(22-9-13-26(14-10-22)37(41)42)15-24(35-36)19-44-33(40)20-43-27-16-29(38)34-30(39)18-31(45-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 1.39E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463083
PNG
(CHEMBL4242033)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(Cl)cc3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23ClN2O6/c34-23-13-11-21(12-14-23)27-15-24(35-36(27)25-9-5-2-6-10-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)22-7-3-1-4-8-22/h1-18,37H,19-20H2
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n/an/a 1.41E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463062
PNG
(CHEMBL4246412)
Show SMILES Cc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H25ClN2O6/c1-21-7-9-22(10-8-21)28-15-25(36-37(28)26-13-11-24(35)12-14-26)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 1.44E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463068
PNG
(CHEMBL4238681)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(cc3)[N+]([O-])=O)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23N3O8/c37-28-16-26(17-31-33(28)29(38)18-30(44-31)22-7-3-1-4-8-22)42-20-32(39)43-19-23-15-27(21-11-13-25(14-12-21)36(40)41)35(34-23)24-9-5-2-6-10-24/h1-18,37H,19-20H2
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n/an/a 1.66E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463071
PNG
(CHEMBL4245964)
Show SMILES Cc1cccc(c1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H25ClN2O6/c1-21-6-5-9-23(14-21)28-15-25(36-37(28)26-12-10-24(35)11-13-26)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)22-7-3-2-4-8-22/h2-18,38H,19-20H2,1H3
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n/an/a 1.77E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463063
PNG
(CHEMBL4241591)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H25ClN2O6/c1-21-7-13-26(14-8-21)37-28(22-9-11-24(35)12-10-22)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463084
PNG
(CHEMBL4248344)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(Br)cc3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23BrN2O6/c34-23-13-11-21(12-14-23)27-15-24(35-36(27)25-9-5-2-6-10-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)22-7-3-1-4-8-22/h1-18,37H,19-20H2
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n/an/a 2.12E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463065
PNG
(CHEMBL4248176)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H24N2O6/c36-28-17-26(18-31-33(28)29(37)19-30(41-31)23-12-6-2-7-13-23)39-21-32(38)40-20-24-16-27(22-10-4-1-5-11-22)35(34-24)25-14-8-3-9-15-25/h1-19,36H,20-21H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463082
PNG
(CHEMBL4245581)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(F)cc3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23FN2O6/c34-23-13-11-21(12-14-23)27-15-24(35-36(27)25-9-5-2-6-10-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)22-7-3-1-4-8-22/h1-18,37H,19-20H2
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n/an/a 2.54E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463066
PNG
(CHEMBL4241367)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C34H25FN2O6/c1-21-7-13-26(14-8-21)37-28(22-9-11-24(35)12-10-22)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 2.84E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463072
PNG
(CHEMBL4237875)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(F)c3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23FN2O6/c34-23-11-7-10-22(14-23)27-15-24(35-36(27)25-12-5-2-6-13-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)21-8-3-1-4-9-21/h1-18,37H,19-20H2
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n/an/a 3.53E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463086
PNG
(CHEMBL4241547)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C34H23F3N2O6/c35-34(36,37)23-13-11-21(12-14-23)27-15-24(38-39(27)25-9-5-2-6-10-25)19-44-32(42)20-43-26-16-28(40)33-29(41)18-30(45-31(33)17-26)22-7-3-1-4-8-22/h1-18,40H,19-20H2
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n/an/a 4.33E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463073
PNG
(CHEMBL4245838)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(Cl)c3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23ClN2O6/c34-23-11-7-10-22(14-23)27-15-24(35-36(27)25-12-5-2-6-13-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)21-8-3-1-4-9-21/h1-18,37H,19-20H2
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n/an/a 4.43E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463087
PNG
(CHEMBL4247830)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(c3)C(F)(F)F)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C34H23F3N2O6/c35-34(36,37)23-11-7-10-22(14-23)27-15-24(38-39(27)25-12-5-2-6-13-25)19-44-32(42)20-43-26-16-28(40)33-29(41)18-30(45-31(33)17-26)21-8-3-1-4-9-21/h1-18,40H,19-20H2
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n/an/a 4.79E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463089
PNG
(CHEMBL4242256)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C34H25ClN2O6/c1-21-10-12-26(13-11-21)37-28(23-8-5-9-24(35)14-23)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)22-6-3-2-4-7-22/h2-18,38H,19-20H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463075
PNG
(CHEMBL4247391)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C35H25F3N2O6/c1-21-7-13-26(14-8-21)40-28(22-9-11-24(12-10-22)35(36,37)38)15-25(39-40)19-45-33(43)20-44-27-16-29(41)34-30(42)18-31(46-32(34)17-27)23-5-3-2-4-6-23/h2-18,41H,19-20H2,1H3
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n/an/a 5.02E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463064
PNG
(CHEMBL4240276)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H24Cl2N2O6/c1-20-7-10-24(11-8-20)38-28(22-9-12-26(35)27(36)13-22)14-23(37-38)18-43-33(41)19-42-25-15-29(39)34-30(40)17-31(44-32(34)16-25)21-5-3-2-4-6-21/h2-17,39H,18-19H2,1H3
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n/an/a 5.02E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463074
PNG
(CHEMBL4244043)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(c3)[N+]([O-])=O)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23N3O8/c37-28-16-26(17-31-33(28)29(38)18-30(44-31)21-8-3-1-4-9-21)42-20-32(39)43-19-23-15-27(22-10-7-13-25(14-22)36(40)41)35(34-23)24-11-5-2-6-12-24/h1-18,37H,19-20H2
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n/an/a 5.94E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463079
PNG
(CHEMBL4239825)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(Cl)c(Cl)c3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H22Cl2N2O6/c34-25-12-11-21(13-26(25)35)27-14-22(36-37(27)23-9-5-2-6-10-23)18-42-32(40)19-41-24-15-28(38)33-29(39)17-30(43-31(33)16-24)20-7-3-1-4-8-20/h1-17,38H,18-19H2
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n/an/a 6.83E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50463085
PNG
(CHEMBL4250397)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(Cl)c(Cl)c3)n(n2)-c2ccc(Cl)cc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H21Cl3N2O6/c34-21-7-9-23(10-8-21)38-27(20-6-11-25(35)26(36)12-20)13-22(37-38)17-43-32(41)18-42-24-14-28(39)33-29(40)16-30(44-31(33)15-24)19-4-2-1-3-5-19/h1-16,39H,17-18H2
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n/an/a 8.58E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463090
PNG
(CHEMBL4239213)
Show SMILES COc1cccc(c1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C34H26N2O7/c1-40-26-14-8-11-23(15-26)28-16-24(35-36(28)25-12-6-3-7-13-25)20-42-33(39)21-41-27-17-29(37)34-30(38)19-31(43-32(34)18-27)22-9-4-2-5-10-22/h2-19,37H,20-21H2,1H3
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n/an/a 2.55E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463071
PNG
(CHEMBL4245964)
Show SMILES Cc1cccc(c1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H25ClN2O6/c1-21-6-5-9-23(14-21)28-15-25(36-37(28)26-12-10-24(35)11-13-26)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)22-7-3-2-4-8-22/h2-18,38H,19-20H2,1H3
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n/an/a 2.76E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463064
PNG
(CHEMBL4240276)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H24Cl2N2O6/c1-20-7-10-24(11-8-20)38-28(22-9-12-26(35)27(36)13-22)14-23(37-38)18-43-33(41)19-42-25-15-29(39)34-30(40)17-31(44-32(34)16-25)21-5-3-2-4-6-21/h2-17,39H,18-19H2,1H3
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n/an/a 2.79E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463075
PNG
(CHEMBL4247391)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C35H25F3N2O6/c1-21-7-13-26(14-8-21)40-28(22-9-11-24(12-10-22)35(36,37)38)15-25(39-40)19-45-33(43)20-44-27-16-29(41)34-30(42)18-31(46-32(34)17-27)23-5-3-2-4-6-23/h2-18,41H,19-20H2,1H3
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n/an/a 2.97E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463066
PNG
(CHEMBL4241367)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C34H25FN2O6/c1-21-7-13-26(14-8-21)37-28(22-9-11-24(35)12-10-22)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 3.02E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463069
PNG
(CHEMBL4250212)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1cccc(C)c1
Show InChI InChI=1S/C35H28N2O6/c1-22-11-13-27(14-12-22)37-29(25-10-6-7-23(2)15-25)16-26(36-37)20-42-34(40)21-41-28-17-30(38)35-31(39)19-32(43-33(35)18-28)24-8-4-3-5-9-24/h3-19,38H,20-21H2,1-2H3
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n/an/a 3.22E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463065
PNG
(CHEMBL4248176)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H24N2O6/c36-28-17-26(18-31-33(28)29(37)19-30(41-31)23-12-6-2-7-13-23)39-21-32(38)40-20-24-16-27(22-10-4-1-5-11-22)35(34-24)25-14-8-3-9-15-25/h1-19,36H,20-21H2
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n/an/a 3.29E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463086
PNG
(CHEMBL4241547)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C34H23F3N2O6/c35-34(36,37)23-13-11-21(12-14-23)27-15-24(38-39(27)25-9-5-2-6-10-25)19-44-32(42)20-43-26-16-28(40)33-29(41)18-30(45-31(33)17-26)22-7-3-1-4-8-22/h1-18,40H,19-20H2
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n/an/a 3.29E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463085
PNG
(CHEMBL4250397)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(Cl)c(Cl)c3)n(n2)-c2ccc(Cl)cc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H21Cl3N2O6/c34-21-7-9-23(10-8-21)38-27(20-6-11-25(35)26(36)12-20)13-22(37-38)17-43-32(41)18-42-24-14-28(39)33-29(40)16-30(44-31(33)15-24)19-4-2-1-3-5-19/h1-16,39H,17-18H2
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n/an/a 3.31E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463074
PNG
(CHEMBL4244043)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(c3)[N+]([O-])=O)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23N3O8/c37-28-16-26(17-31-33(28)29(38)18-30(44-31)21-8-3-1-4-9-21)42-20-32(39)43-19-23-15-27(22-10-7-13-25(14-22)36(40)41)35(34-23)24-11-5-2-6-12-24/h1-18,37H,19-20H2
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n/an/a 3.38E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463078
PNG
(CHEMBL4248810)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(Cl)c3)n(n2)-c2ccc(Cl)cc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H22Cl2N2O6/c34-22-9-11-25(12-10-22)37-27(21-7-4-8-23(35)13-21)14-24(36-37)18-42-32(40)19-41-26-15-28(38)33-29(39)17-30(43-31(33)16-26)20-5-2-1-3-6-20/h1-17,38H,18-19H2
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n/an/a 3.69E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463080
PNG
(CHEMBL4242144)
Show SMILES Cc1cccc(c1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C34H26N2O6/c1-22-9-8-12-24(15-22)28-16-25(35-36(28)26-13-6-3-7-14-26)20-41-33(39)21-40-27-17-29(37)34-30(38)19-31(42-32(34)18-27)23-10-4-2-5-11-23/h2-19,37H,20-21H2,1H3
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n/an/a 3.91E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463070
PNG
(CHEMBL4238329)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(Br)cc1
Show InChI InChI=1S/C34H25BrN2O6/c1-21-7-13-26(14-8-21)37-28(22-9-11-24(35)12-10-22)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 3.95E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463062
PNG
(CHEMBL4246412)
Show SMILES Cc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H25ClN2O6/c1-21-7-9-22(10-8-21)28-15-25(36-37(28)26-13-11-24(35)12-14-26)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 4.09E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463087
PNG
(CHEMBL4247830)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(c3)C(F)(F)F)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C34H23F3N2O6/c35-34(36,37)23-11-7-10-22(14-23)27-15-24(38-39(27)25-12-5-2-6-13-25)19-44-32(42)20-43-26-16-28(40)33-29(41)18-30(45-31(33)17-26)21-8-3-1-4-9-21/h1-18,40H,19-20H2
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n/an/a 4.11E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463088
PNG
(CHEMBL4243589)
Show SMILES Cc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(C)cc1
Show InChI InChI=1S/C35H28N2O6/c1-22-8-12-24(13-9-22)29-16-26(36-37(29)27-14-10-23(2)11-15-27)20-42-34(40)21-41-28-17-30(38)35-31(39)19-32(43-33(35)18-28)25-6-4-3-5-7-25/h3-19,38H,20-21H2,1-2H3
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n/an/a 4.12E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463067
PNG
(CHEMBL4239643)
Show SMILES COc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C34H26N2O7/c1-40-26-14-12-22(13-15-26)28-16-24(35-36(28)25-10-6-3-7-11-25)20-42-33(39)21-41-27-17-29(37)34-30(38)19-31(43-32(34)18-27)23-8-4-2-5-9-23/h2-19,37H,20-21H2,1H3
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n/an/a 4.13E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463068
PNG
(CHEMBL4238681)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(cc3)[N+]([O-])=O)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23N3O8/c37-28-16-26(17-31-33(28)29(38)18-30(44-31)22-7-3-1-4-8-22)42-20-32(39)43-19-23-15-27(21-11-13-25(14-12-21)36(40)41)35(34-23)24-9-5-2-6-10-24/h1-18,37H,19-20H2
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n/an/a 4.21E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463084
PNG
(CHEMBL4248344)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(Br)cc3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23BrN2O6/c34-23-13-11-21(12-14-23)27-15-24(35-36(27)25-9-5-2-6-10-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)22-7-3-1-4-8-22/h1-18,37H,19-20H2
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n/an/a 4.32E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463072
PNG
(CHEMBL4237875)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(F)c3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23FN2O6/c34-23-11-7-10-22(14-23)27-15-24(35-36(27)25-12-5-2-6-13-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)21-8-3-1-4-9-21/h1-18,37H,19-20H2
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n/an/a 4.32E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463073
PNG
(CHEMBL4245838)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3cccc(Cl)c3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23ClN2O6/c34-23-11-7-10-22(14-23)27-15-24(35-36(27)25-12-5-2-6-13-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)21-8-3-1-4-9-21/h1-18,37H,19-20H2
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n/an/a 4.48E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463061
PNG
(CHEMBL4242859)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C34H25N3O8/c1-21-7-11-25(12-8-21)36-28(22-9-13-26(14-10-22)37(41)42)15-24(35-36)19-44-33(40)20-43-27-16-29(38)34-30(39)18-31(45-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a 4.48E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463076
PNG
(CHEMBL4239360)
Show SMILES Cc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C34H26N2O6/c1-22-12-14-23(15-13-22)28-16-25(35-36(28)26-10-6-3-7-11-26)20-41-33(39)21-40-27-17-29(37)34-30(38)19-31(42-32(34)18-27)24-8-4-2-5-9-24/h2-19,37H,20-21H2,1H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463081
PNG
(CHEMBL4243440)
Show SMILES COc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H25ClN2O7/c1-41-26-13-7-21(8-14-26)28-15-24(36-37(28)25-11-9-23(35)10-12-25)19-43-33(40)20-42-27-16-29(38)34-30(39)18-31(44-32(34)17-27)22-5-3-2-4-6-22/h2-18,38H,19-20H2,1H3
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n/an/a 4.65E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
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 4.69E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463077
PNG
(CHEMBL4249752)
Show SMILES COc1ccc(cc1)-c1cc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nn1-c1ccc(C)cc1
Show InChI InChI=1S/C35H28N2O7/c1-22-8-12-26(13-9-22)37-29(23-10-14-27(41-2)15-11-23)16-25(36-37)20-43-34(40)21-42-28-17-30(38)35-31(39)19-32(44-33(35)18-28)24-6-4-3-5-7-24/h3-19,38H,20-21H2,1-2H3
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n/an/a 4.75E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463089
PNG
(CHEMBL4242256)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C34H25ClN2O6/c1-21-10-12-26(13-11-21)37-28(23-8-5-9-24(35)14-23)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)22-6-3-2-4-7-22/h2-18,38H,19-20H2,1H3
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n/an/a 4.96E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463082
PNG
(CHEMBL4245581)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(F)cc3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23FN2O6/c34-23-13-11-21(12-14-23)27-15-24(35-36(27)25-9-5-2-6-10-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)22-7-3-1-4-8-22/h1-18,37H,19-20H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463079
PNG
(CHEMBL4239825)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(Cl)c(Cl)c3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H22Cl2N2O6/c34-25-12-11-21(13-26(25)35)27-14-22(36-37(27)23-9-5-2-6-10-23)18-42-32(40)19-41-24-15-28(38)33-29(39)17-30(43-31(33)16-24)20-7-3-1-4-8-20/h1-17,38H,18-19H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463063
PNG
(CHEMBL4241591)
Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H25ClN2O6/c1-21-7-13-26(14-8-21)37-28(22-9-11-24(35)12-10-22)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)23-5-3-2-4-6-23/h2-18,38H,19-20H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50463083
PNG
(CHEMBL4242033)
Show SMILES Oc1cc(OCC(=O)OCc2cc(-c3ccc(Cl)cc3)n(n2)-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C33H23ClN2O6/c34-23-13-11-21(12-14-23)27-15-24(35-36(27)25-9-5-2-6-10-25)19-41-32(39)20-40-26-16-28(37)33-29(38)18-30(42-31(33)17-26)22-7-3-1-4-8-22/h1-18,37H,19-20H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...

Bioorg Med Chem 26: 4264-4275 (2018)


Article DOI: 10.1016/j.bmc.2018.07.022
BindingDB Entry DOI: 10.7270/Q2ZK5KBK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%