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PubMed code 9871612

Compile data set for download or QSAR
Found 8 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))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human Prostaglandin G/H synthase 2 was determined


Bioorg Med Chem Lett 8: 529-34 (1999)


BindingDB Entry DOI: 10.7270/Q2BR8RBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50069554
PNG
(1-Phenothiazin-10-yl-propane-2-thiol | CHEMBL14903...)
Show SMILES CC(S)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H15NS2/c1-11(17)10-16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,17H,10H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human Prostaglandin G/H synthase 1 was determined


Bioorg Med Chem Lett 8: 529-34 (1999)


BindingDB Entry DOI: 10.7270/Q2BR8RBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50069556
PNG
(1-Phenothiazin-10-yl-propan-2-ol | CHEMBL151658)
Show SMILES CC(O)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H15NOS/c1-11(17)10-16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,17H,10H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human Prostaglandin G/H synthase 1 was determined


Bioorg Med Chem Lett 8: 529-34 (1999)


BindingDB Entry DOI: 10.7270/Q2BR8RBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50069553
PNG
(2-(4-Chloro-phenoxy)-2-methyl-N-(3-phenothiazin-10...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C25H25ClN2O2S/c1-25(2,30-19-14-12-18(26)13-15-19)24(29)27-16-7-17-28-20-8-3-5-10-22(20)31-23-11-6-4-9-21(23)28/h3-6,8-15H,7,16-17H2,1-2H3,(H,27,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human Prostaglandin G/H synthase 2 was determined


Bioorg Med Chem Lett 8: 529-34 (1999)


BindingDB Entry DOI: 10.7270/Q2BR8RBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50069554
PNG
(1-Phenothiazin-10-yl-propane-2-thiol | CHEMBL14903...)
Show SMILES CC(S)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H15NS2/c1-11(17)10-16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,17H,10H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human Prostaglandin G/H synthase 2 was determined


Bioorg Med Chem Lett 8: 529-34 (1999)


BindingDB Entry DOI: 10.7270/Q2BR8RBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50069556
PNG
(1-Phenothiazin-10-yl-propan-2-ol | CHEMBL151658)
Show SMILES CC(O)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H15NOS/c1-11(17)10-16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,17H,10H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human Prostaglandin G/H synthase 2 was determined


Bioorg Med Chem Lett 8: 529-34 (1999)


BindingDB Entry DOI: 10.7270/Q2BR8RBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50069555
PNG
(3-(4-Bromo-phenoxy)-2,2-dimethyl-N-(3-phenothiazin...)
Show SMILES CC(C)(COc1ccc(Br)cc1)C(=O)NCCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C26H27BrN2O2S/c1-26(2,18-31-20-14-12-19(27)13-15-20)25(30)28-16-7-17-29-21-8-3-5-10-23(21)32-24-11-6-4-9-22(24)29/h3-6,8-15H,7,16-18H2,1-2H3,(H,28,30)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human Prostaglandin G/H synthase 2 was determined


Bioorg Med Chem Lett 8: 529-34 (1999)


BindingDB Entry DOI: 10.7270/Q2BR8RBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human Prostaglandin G/H synthase 1 was determined


Bioorg Med Chem Lett 8: 529-34 (1999)


BindingDB Entry DOI: 10.7270/Q2BR8RBX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%