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5 similar compounds to monomer 50022271

Wt: 254.2
BDBM50088570
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Wt: 254.2
BDBM50169048
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Wt: 240.2
BDBM50295286
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Wt: 268.3
BDBM50392947
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Wt: 266.2
BDBM50392951

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50088570,50169048,50295286,50392947,50392951   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50088570
PNG
((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...)
Show SMILES C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
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PubMed
n/an/a 1.90n/an/an/an/an/an/a



Laboratorios Menarini

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human


J Med Chem 43: 2280-4 (2000)


Article DOI: 10.1021/jm9906217
BindingDB Entry DOI: 10.7270/Q2PG1QZ8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50088570
PNG
((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...)
Show SMILES C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
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PubMed
n/an/a 27n/an/an/an/an/an/a



Laboratorios Menarini

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 from human


J Med Chem 43: 2280-4 (2000)


Article DOI: 10.1021/jm9906217
BindingDB Entry DOI: 10.7270/Q2PG1QZ8
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens)
BDBM50295286
PNG
(2-(3-benzoylphenyl)acetic acid | CHEMBL561718)
Show SMILES OC(=O)Cc1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Grupo Uriach

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay


Bioorg Med Chem Lett 19: 4026-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.027
BindingDB Entry DOI: 10.7270/Q2V124TW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50392951
PNG
(CHEMBL2152352)
Show SMILES OC(=O)C1(CC1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H14O3/c18-15(12-5-2-1-3-6-12)13-7-4-8-14(11-13)17(9-10-17)16(19)20/h1-8,11H,9-10H2,(H,19,20)
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n/an/a 4.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50295286
PNG
(2-(3-benzoylphenyl)acetic acid | CHEMBL561718)
Show SMILES OC(=O)Cc1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)
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CHEMBL
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50392947
PNG
(CHEMBL2152246)
Show SMILES CC(C)(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16O3/c1-17(2,16(19)20)14-10-6-9-13(11-14)15(18)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,19,20)
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30...


ACS Med Chem Lett 3: 759-763 (2012)


Article DOI: 10.1021/ml3001616
BindingDB Entry DOI: 10.7270/Q2FJ2HWS
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens)
BDBM50169048
PNG
((R)-2-(3-Benzoyl-phenyl)-propionic acid | (R)-2-(3...)
Show SMILES C[C@@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
PDB
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NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Grupo Uriach

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay


Bioorg Med Chem Lett 19: 4026-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.027
BindingDB Entry DOI: 10.7270/Q2V124TW
More data for this
Ligand-Target Pair