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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
31
hits in this display
Target
Ras-related protein Rab-7a
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
Ki: 310nM
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
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
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Affinity Data
Ki: 990nM
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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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 3.51E+3nM
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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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
Shanghai Haini Pharmaceutical
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 99nM
Assay Description:
Inhibition of COX1 in human HEL 92.1.7 cells assessed as thromboxane B2 production incubated for 30 mins before arachidonic acid addition measured af...
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Target
C-X-C chemokine receptor type 1/2
(Homo sapiens (Human))
Domp£
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 100nM
Assay Description:
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
Shanghai Haini Pharmaceutical
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 730nM
Assay Description:
Inhibition of COX2 in LPS-stimulated and PMA-treated human U937 cells assessed as PGE2 production after 15 mins by ELISA
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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
Shanghai Haini Pharmaceutical
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
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Affinity Data
IC50: 1.48E+3nM
Assay Description:
Inhibition of ovine COX1 by EIA
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Target
Prostaglandin G/H synthase 2
(Ovis aries (Sheep))
Universitat De Barcelona
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
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Affinity Data
IC50: 1.50E+3nM
Assay Description:
Inhibition of sheep COX2 by spectrophotometry
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Target
Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
National Institute Of Pharmaceutical Education And Research
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 2.26E+3nM
Assay Description:
In vitro inhibitory concentration of the compound against ram seminal vescicle prostaglandin G/H synthase 1
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
Shanghai Haini Pharmaceutical
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.46E+3nM
Assay Description:
Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mi...
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Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
Shanghai Haini Pharmaceutical
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.60E+3nM
Assay Description:
Inhibition of COX1
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Target
Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
National Institute Of Pharmaceutical Education And Research
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
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Affinity Data
IC50: 3.20E+3nM
Assay Description:
Inhibition of sheep COX1 by spectrophotometry
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Target
Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
National Institute Of Pharmaceutical Education And Research
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4.50E+3nM
Assay Description:
Inhibition of ovine COX-1 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed ...
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Target
Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
National Institute Of Pharmaceutical Education And Research
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4.96E+3nM
Assay Description:
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 50 nM arachidonic acid as substrate preincubated with enzyme for 5 mi...
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Target
Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
National Institute Of Pharmaceutical Education And Research
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.62E+4nM
Assay Description:
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 250 nM arachidonic acid as substrate preincubated with enzyme for 5 m...
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Target
Prostaglandin G/H synthase 1
(Ovis aries (Sheep))
National Institute Of Pharmaceutical Education And Research
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >2.00E+4nM
Assay Description:
Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 1250 nM arachidonic acid as substrate preincubated with enzyme for 5 ...
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Target
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human))
University Of Auckland
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 3.27E+4nM
Assay Description:
Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...
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Target
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human))
University Of Auckland
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 4.24E+4nM
Assay Description:
Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...
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Target
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human))
University Of Auckland
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...
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Target
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human))
University Of Auckland
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...
More data for this Ligand-Target Pair
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Target
Prostaglandin G/H synthase 2
(Ovis aries (Sheep))
Universitat De Barcelona
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 2.66E+5nM
Assay Description:
In vitro inhibitory concentration of the compound against sheep placenta Prostaglandin G/H synthase 2
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Target
Acid-sensing ion channel 3
(Rattus norvegicus)
University of Copenhagen
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 3.09E+5nM
Assay Description:
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp
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Target
Acid-sensing ion channel 1
(Rattus norvegicus)
University of Copenhagen
Curated by
ChEMBL
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
IC50: 3.47E+5nM
Assay Description:
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp
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Target
Ras-related C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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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
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Copy SMILES
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Affinity Data
EC50: 1.66E+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
Ras-related protein Rab-7a
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
EC50: 4.78E+3nM
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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Target
Ras-related protein Rab-2A
(Canis lupus familiaris)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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...
More data for this Ligand-Target Pair
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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 C3 botulinum toxin substrate 1
(Mus musculus)
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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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...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
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In Depth
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PCBioAssay
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Target
GTPase KRas [1-37]
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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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
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
PCBioAssay
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Target
Cell division control protein 42 homolog
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM50169047
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
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Affinity Data
EC50: 6.41E+3nM
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
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI