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2 similar compounds to monomer 22971

Compile data set for download or QSAR
Wt: 295.1
BDBM50012896
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Wt: 310.1
BDBM50109686
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50012896,50109686   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50012896
PNG
(CHEMBL876 | CL-583.NA SALT | MECLOFENAMATE SODIUM ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
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Article
PubMed
n/an/a 5.64E+3n/an/an/an/an/an/a



Alexandria University



Assay Description
All the newly synthesized compounds were also evaluated in vitro for their ability to inhibit lipoxygenase enzyme. This was carried out using Abnova ...


Bioorg Chem 72: 102-115 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.012
BindingDB Entry DOI: 10.7270/Q2W9581F
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50109686
PNG
(2-(2,6-Dichloro-3-methyl-phenylamino)-benzoic acid...)
Show SMILES COC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-7-8-11(16)14(13(9)17)18-12-6-4-3-5-10(12)15(19)20-2/h3-8,18H,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of the ovine Prostaglandin G/H synthase 1 was determined by thin-layer chromatography assay


Bioorg Med Chem Lett 12: 521-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00792-2
BindingDB Entry DOI: 10.7270/Q2BP0247
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50012896
PNG
(CHEMBL876 | CL-583.NA SALT | MECLOFENAMATE SODIUM ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact RBL-1 cell line


J Med Chem 33: 2070-2 (1990)


Article DOI: 10.1021/jm00170a004
BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50012896
PNG
(CHEMBL876 | CL-583.NA SALT | MECLOFENAMATE SODIUM ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
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n/an/a 100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against Prostaglandin G/H synthase


J Med Chem 35: 3691-8 (1992)


Article DOI: 10.1021/jm00098a015
BindingDB Entry DOI: 10.7270/Q2M61KWB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50109686
PNG
(2-(2,6-Dichloro-3-methyl-phenylamino)-benzoic acid...)
Show SMILES COC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-7-8-11(16)14(13(9)17)18-12-6-4-3-5-10(12)15(19)20-2/h3-8,18H,1-2H3
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of the human Prostaglandin G/H synthase 2 was determined by thin-layer chromatography assay


Bioorg Med Chem Lett 12: 521-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00792-2
BindingDB Entry DOI: 10.7270/Q2BP0247
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50012896
PNG
(CHEMBL876 | CL-583.NA SALT | MECLOFENAMATE SODIUM ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
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Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for its inhibitory activity against 5-lipoxygenase


J Med Chem 35: 3691-8 (1992)


Article DOI: 10.1021/jm00098a015
BindingDB Entry DOI: 10.7270/Q2M61KWB
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50012896
PNG
(CHEMBL876 | CL-583.NA SALT | MECLOFENAMATE SODIUM ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line


J Med Chem 33: 2070-2 (1990)


Article DOI: 10.1021/jm00170a004
BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50012896
PNG
(CHEMBL876 | CL-583.NA SALT | MECLOFENAMATE SODIUM ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
PDB
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KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


Article DOI: 10.1021/jm00028a017
BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair