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PubMed code 24836072

Compile data set for download or QSAR
Found 38 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
Cyclooxygenase


(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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Article
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n/an/a 270n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50016433
PNG
(CHEMBL3264693)
Show SMILES Clc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11ClN4OS/c17-11-5-7-13(8-6-11)21-9-12(19-20-21)10-23-16-18-14-3-1-2-4-15(14)22-16/h1-9H,10H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016431
PNG
(CHEMBL3264691)
Show SMILES COc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C17H14N4O2S/c1-22-14-8-6-13(7-9-14)21-10-12(19-20-21)11-24-17-18-15-4-2-3-5-16(15)23-17/h2-10H,11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016401
PNG
(CHEMBL3264699)
Show SMILES Fc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11FN4OS/c17-12-5-1-3-7-14(12)21-9-11(19-20-21)10-23-16-18-13-6-2-4-8-15(13)22-16/h1-9H,10H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016438
PNG
(CHEMBL3264698)
Show SMILES Brc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11BrN4OS/c17-12-5-1-3-7-14(12)21-9-11(19-20-21)10-23-16-18-13-6-2-4-8-15(13)22-16/h1-9H,10H2
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n/an/a 2.75E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016435
PNG
(CHEMBL3264695)
Show SMILES Brc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11BrN4OS/c17-11-5-7-13(8-6-11)21-9-12(19-20-21)10-23-16-18-14-3-1-2-4-15(14)22-16/h1-9H,10H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016428
PNG
(CHEMBL3264702)
Show SMILES CCOc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C18H16N4O2S/c1-2-23-15-9-7-14(8-10-15)22-11-13(20-21-22)12-25-18-19-16-5-3-4-6-17(16)24-18/h3-11H,2,12H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016434
PNG
(CHEMBL3264694)
Show SMILES Clc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11ClN4OS/c17-12-5-1-3-7-14(12)21-9-11(19-20-21)10-23-16-18-13-6-2-4-8-15(13)22-16/h1-9H,10H2
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n/an/a 3.53E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016442
PNG
(CHEMBL3264690)
Show SMILES CCc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C18H16N4OS/c1-2-13-7-9-15(10-8-13)22-11-14(20-21-22)12-24-18-19-16-5-3-4-6-17(16)23-18/h3-11H,2,12H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016427
PNG
(CHEMBL3264701)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C20H20N4OS/c1-20(2,3)14-8-10-16(11-9-14)24-12-15(22-23-24)13-26-19-21-17-6-4-5-7-18(17)25-19/h4-12H,13H2,1-3H3
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n/an/a 3.85E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016429
PNG
(CHEMBL3264703)
Show SMILES C(Sc1nc2ccccc2o1)c1cn(nn1)-c1cccnc1
Show InChI InChI=1S/C15H11N5OS/c1-2-6-14-13(5-1)17-15(21-14)22-10-11-9-20(19-18-11)12-4-3-7-16-8-12/h1-9H,10H2
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n/an/a 3.98E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016419
PNG
(CHEMBL3264700)
Show SMILES Cc1ccc(cc1C)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C18H16N4OS/c1-12-7-8-15(9-13(12)2)22-10-14(20-21-22)11-24-18-19-16-5-3-4-6-17(16)23-18/h3-10H,11H2,1-2H3
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n/an/a 4.35E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016432
PNG
(CHEMBL3264692)
Show SMILES Clc1cccc(c1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11ClN4OS/c17-11-4-3-5-13(8-11)21-9-12(19-20-21)10-23-16-18-14-6-1-2-7-15(14)22-16/h1-9H,10H2
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n/an/a 4.63E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016437
PNG
(CHEMBL3264697)
Show SMILES Cc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C17H14N4OS/c1-12-6-2-4-8-15(12)21-10-13(19-20-21)11-23-17-18-14-7-3-5-9-16(14)22-17/h2-10H,11H2,1H3
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n/an/a 4.68E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016430
PNG
(CHEMBL3264704)
Show SMILES Clc1ncccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C15H10ClN5OS/c16-14-12(5-3-7-17-14)21-8-10(19-20-21)9-23-15-18-11-4-1-2-6-13(11)22-15/h1-8H,9H2
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n/an/a 5.03E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016436
PNG
(CHEMBL3264696)
Show SMILES Fc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11FN4OS/c17-11-5-7-13(8-6-11)21-9-12(19-20-21)10-23-16-18-14-3-1-2-4-15(14)22-16/h1-9H,10H2
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n/an/a 5.21E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016441
PNG
(CHEMBL3264689)
Show SMILES C(Sc1nc2ccccc2o1)c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C16H12N4OS/c1-2-6-13(7-3-1)20-10-12(18-19-20)11-22-16-17-14-8-4-5-9-15(14)21-16/h1-10H,11H2
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n/an/a 6.42E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016439
PNG
(CHEMBL3264687)
Show SMILES [O-][N+](=O)c1cccc(c1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11N5O3S/c22-21(23)13-5-3-4-12(8-13)20-9-11(18-19-20)10-25-16-17-14-6-1-2-7-15(14)24-16/h1-9H,10H2
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n/an/a 9.58E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50016440
PNG
(CHEMBL3264688)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11N5O3S/c22-21(23)13-7-5-12(6-8-13)20-9-11(18-19-20)10-25-16-17-14-3-1-2-4-15(14)24-16/h1-9H,10H2
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n/an/a 9.87E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-2 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 2.04E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016401
PNG
(CHEMBL3264699)
Show SMILES Fc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11FN4OS/c17-12-5-1-3-7-14(12)21-9-11(19-20-21)10-23-16-18-13-6-2-4-8-15(13)22-16/h1-9H,10H2
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n/an/a 2.42E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016438
PNG
(CHEMBL3264698)
Show SMILES Brc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11BrN4OS/c17-12-5-1-3-7-14(12)21-9-11(19-20-21)10-23-16-18-13-6-2-4-8-15(13)22-16/h1-9H,10H2
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n/an/a 3.84E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016434
PNG
(CHEMBL3264694)
Show SMILES Clc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11ClN4OS/c17-12-5-1-3-7-14(12)21-9-11(19-20-21)10-23-16-18-13-6-2-4-8-15(13)22-16/h1-9H,10H2
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n/an/a 4.44E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016433
PNG
(CHEMBL3264693)
Show SMILES Clc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11ClN4OS/c17-11-5-7-13(8-6-11)21-9-12(19-20-21)10-23-16-18-14-3-1-2-4-15(14)22-16/h1-9H,10H2
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n/an/a 8.08E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016432
PNG
(CHEMBL3264692)
Show SMILES Clc1cccc(c1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11ClN4OS/c17-11-4-3-5-13(8-11)21-9-12(19-20-21)10-23-16-18-14-6-1-2-7-15(14)22-16/h1-9H,10H2
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n/an/a 8.83E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016431
PNG
(CHEMBL3264691)
Show SMILES COc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C17H14N4O2S/c1-22-14-8-6-13(7-9-14)21-10-12(19-20-21)11-24-17-18-15-4-2-3-5-16(15)23-17/h2-10H,11H2,1H3
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n/an/a 8.94E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016429
PNG
(CHEMBL3264703)
Show SMILES C(Sc1nc2ccccc2o1)c1cn(nn1)-c1cccnc1
Show InChI InChI=1S/C15H11N5OS/c1-2-6-14-13(5-1)17-15(21-14)22-10-11-9-20(19-18-11)12-4-3-7-16-8-12/h1-9H,10H2
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n/an/a 9.66E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016430
PNG
(CHEMBL3264704)
Show SMILES Clc1ncccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C15H10ClN5OS/c16-14-12(5-3-7-17-14)21-8-10(19-20-21)9-23-15-18-11-4-1-2-6-13(11)22-15/h1-8H,9H2
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n/an/a 1.03E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016439
PNG
(CHEMBL3264687)
Show SMILES [O-][N+](=O)c1cccc(c1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11N5O3S/c22-21(23)13-5-3-4-12(8-13)20-9-11(18-19-20)10-25-16-17-14-6-1-2-7-15(14)24-16/h1-9H,10H2
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n/an/a 1.04E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016441
PNG
(CHEMBL3264689)
Show SMILES C(Sc1nc2ccccc2o1)c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C16H12N4OS/c1-2-6-13(7-3-1)20-10-12(18-19-20)11-22-16-17-14-8-4-5-9-15(14)21-16/h1-10H,11H2
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n/an/a 1.07E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016440
PNG
(CHEMBL3264688)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11N5O3S/c22-21(23)13-7-5-12(6-8-13)20-9-11(18-19-20)10-25-16-17-14-3-1-2-4-15(14)24-16/h1-9H,10H2
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n/an/a 1.15E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016437
PNG
(CHEMBL3264697)
Show SMILES Cc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C17H14N4OS/c1-12-6-2-4-8-15(12)21-10-13(19-20-21)11-23-17-18-14-7-3-5-9-16(14)22-17/h2-10H,11H2,1H3
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n/an/a 1.32E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016419
PNG
(CHEMBL3264700)
Show SMILES Cc1ccc(cc1C)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C18H16N4OS/c1-12-7-8-15(9-13(12)2)22-10-14(20-21-22)11-24-18-19-16-5-3-4-6-17(16)23-18/h3-10H,11H2,1-2H3
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n/an/a 1.40E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016427
PNG
(CHEMBL3264701)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C20H20N4OS/c1-20(2,3)14-8-10-16(11-9-14)24-12-15(22-23-24)13-26-19-21-17-6-4-5-7-18(17)25-19/h4-12H,13H2,1-3H3
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n/an/a 1.54E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016428
PNG
(CHEMBL3264702)
Show SMILES CCOc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C18H16N4O2S/c1-2-23-15-9-7-14(8-10-15)22-11-13(20-21-22)12-25-18-19-16-5-3-4-6-17(16)24-18/h3-11H,2,12H2,1H3
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n/an/a 1.63E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016435
PNG
(CHEMBL3264695)
Show SMILES Brc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11BrN4OS/c17-11-5-7-13(8-6-11)21-9-12(19-20-21)10-23-16-18-14-3-1-2-4-15(14)22-16/h1-9H,10H2
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n/an/a 1.86E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016436
PNG
(CHEMBL3264696)
Show SMILES Fc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C16H11FN4OS/c17-11-5-7-13(8-6-11)21-9-12(19-20-21)10-23-16-18-14-3-1-2-4-15(14)22-16/h1-9H,10H2
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n/an/a 1.92E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50016442
PNG
(CHEMBL3264690)
Show SMILES CCc1ccc(cc1)-n1cc(CSc2nc3ccccc3o2)nn1
Show InChI InChI=1S/C18H16N4OS/c1-2-13-7-9-15(10-8-13)22-11-14(20-21-22)12-24-18-19-16-5-3-4-6-17(16)23-18/h3-11H,2,12H2,1H3
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n/an/a 2.46E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 81: 204-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.012
BindingDB Entry DOI: 10.7270/Q2GM88VQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%