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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
54
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 30nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 47nM
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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Copy SMILES
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Affinity Data
Ki: 110nM
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 240nM
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Copy SMILES
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Affinity Data
Ki: 880nM
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Copy SMILES
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Affinity Data
Ki: 2.90E+3nM
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Target
Fatty acid-binding protein, intestinal
(Homo sapiens (Human))
Monash University
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 8.24E+4nM ΔG°: -44.3kJ/mole
T: 2°C
Assay Description:
Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following...
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Target
Albumin
(Homo sapiens (Human))
Molecular Discovery
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 2.08E+5nM
Assay Description:
Binding affinity towards human serum albumin
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Target
Lactoylglutathione lyase
(Homo sapiens (Human))
Sun Yat-Sen University
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 4.14E+5nM
Assay Description:
Inhibition of glyoxalase 1
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Lactoylglutathione lyase
(Homo sapiens (Human))
Sun Yat-Sen University
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 8.43E+5nM
Assay Description:
Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis
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Lactoylglutathione lyase
(Homo sapiens (Human))
Sun Yat-Sen University
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 8.43E+5nM
Assay Description:
Inhibition of human glyoxalase 1
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Target
Solute carrier family 22 member 8
(Homo sapiens (Human))
Kyorin University
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 1.16E+6nM
Assay Description:
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells
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Solute carrier organic anion transporter family member 1A3
(Rattus norvegicus)
Kyoto University Hospital
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 1.90E+6nM
Assay Description:
TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing LLC-PK1 cells
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Target
Serum paraoxonase/arylesterase 1
(Homo sapiens (Human))
AtatÜRk University
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
Ki: 1.30E+7nM ΔG°: -10.8kJ/mole IC50: 6.23E+6nM
pH: 10.5 T: 2°C
Assay Description:
The enzyme assay was based on the estimation of p-nitrophenol at 412nm. The molar extinction coefficient of p-nitrophenol was used to calculate enzy...
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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50088570
((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...)
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Affinity Data
IC50: 1.90nM
Assay Description:
Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human
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Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 2nM
Assay Description:
In vitro inhibition of cyclooxygenase-1 via inhibition of TXB2 generation in the presence of 1 uM arachidonic acid in human platelet
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Target
Interleukin-8
(Homo sapiens (Human))
Grupo Uriach
Curated by
ChEMBL
Ligand
BDBM50169048
((R)-2-(3-Benzoyl-phenyl)-propionic acid | (R)-2-(3...)
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Affinity Data
IC50: 20nM
Assay Description:
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay
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Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 26nM
Assay Description:
In vitro inhibition of PGE-2 generation by LPS-stimulated monocytes isolated from human blood.
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50088570
((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...)
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Affinity Data
IC50: 27nM
Assay Description:
Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 from human
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C-X-C chemokine receptor type 1/2
(Homo sapiens (Human))
Domp£
Curated by
ChEMBL
Ligand
BDBM50169048
((R)-2-(3-Benzoyl-phenyl)-propionic acid | (R)-2-(3...)
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Affinity Data
IC50: 34nM
Assay Description:
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells
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C-X-C chemokine receptor type 1/2
(Homo sapiens (Human))
Domp£
Curated by
ChEMBL
Ligand
BDBM50088570
((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...)
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Affinity Data
IC50: 50nM
Assay Description:
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 61nM
Assay Description:
Inhibition of recombinant human COX-2 preincubated for 15 mins by fluorescence analysis
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Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
Guangzhou Institutes Of Biomedicine And Health
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 67nM
Assay Description:
Inhibition of Ovine COX-1 preincubated for 15 mins by fluorescence analysis
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Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
Guangzhou Institutes Of Biomedicine And Health
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 110nM
Assay Description:
Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay
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Prostaglandin G/H synthase 2
(Ovis aries (Sheep))
Universitat De Barcelona
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 180nM
Assay Description:
Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay
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Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 330nM
Assay Description:
Inhibition of COX1 in human whole blood
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Solute carrier family 22 member 6
(Rattus norvegicus)
Kyoto University Hospital
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 500nM
Assay Description:
TP_TRANSPORTER: inhibition of MTX uptake in Xenopus laevis oocytes
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Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 690nM
Assay Description:
Inhibition of COX2 in human whole blood
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Target
Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
Guangzhou Institutes Of Biomedicine And Health
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 800nM
Assay Description:
Inhibition of purified ovine COX1 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in absence of porcine liver estera...
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Target
Solute carrier family 22 member 6
(Homo sapiens (Human))
Gilead Sciences
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.30E+3nM
Assay Description:
TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells
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Target
Solute carrier family 22 member 6
(Homo sapiens (Human))
Gilead Sciences
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.40E+3nM
Assay Description:
TP_TRANSPORTER: inhibition of 6-Carboxyfluorescein uptake in OAT1-expressing CHO cells
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Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 3.80E+3nM
Assay Description:
Inhibition of human recombinant COX2 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in absence of porcine liver est...
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Epidermal growth factor receptor
(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: >1.00E+4nM
Assay Description:
Inhibition of EGFR (unknown origin) using tyrosine 4 as substrate by fluorescence analysis
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Target
Caspase-9
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.00E+4nM
pH: 7.4
Assay Description:
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...
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Caspase-5
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.00E+4nM
pH: 7.4
Assay Description:
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...
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Caspase-4
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.00E+4nM
pH: 7.4
Assay Description:
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...
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Target
Cytochrome P450 2J2
(Homo sapiens (Human))
Tongji University
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method
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Caspase-3
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 5.00E+4nM
pH: 7.4
Assay Description:
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...
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Caspase-1
(Homo sapiens (Human))
University of Colorado
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: >6.60E+4nM
pH: 7.4
Assay Description:
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...
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Target
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean))
TBA
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.30E+5nM
Assay Description:
Inhibition of Glycine max (soybean) lipoxygenase using sodium linoleate as substrate
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Target
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.80E+5nM
Assay Description:
In vitro inhibition of rabbit lens aldose reductase.
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Target
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean))
TBA
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 2.20E+5nM
Assay Description:
Inhibition of Glycine max (soybean) lipoxygenase assessed as formation of 13-hydroperoxylinoleic acid using sodium linoleate as substrate after 7 min
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Target
Carbonic anhydrase 1
(Homo sapiens (Human))
Balikesir University
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 6.83E+5nM
pH: 10.0
Assay Description:
CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 h...
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Carbonic anhydrase 2
(Homo sapiens (Human))
Balikesir University
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 9.50E+5nM
pH: 10.0
Assay Description:
CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 h...
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Target
Carbonic anhydrase 1
(Homo sapiens (Human))
Balikesir University
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.45E+6nM
pH: 10.0
Assay Description:
CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 h...
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Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Balikesir University
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
IC50: 1.85E+6nM
pH: 10.0
Assay Description:
CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 h...
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Ras-related protein Rab-2A
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
EC50: 377nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Copy SMILES
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Ras-related protein Rab-7a
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
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Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
Target Info
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 3.00E+4nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...
More data for this Ligand-Target Pair
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