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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
3
hits in this display
Target
Integrin alpha-4/beta-1
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50108325
((S)-3-(4-tert-Butoxy-phenyl)-2-{[(S)-1-(3,5-dichlo...)
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Affinity Data
IC50: 0.210nM
Assay Description:
Alpha4-beta1 integrin binding affinity was assessed by measuring the reduction in binding of [125I]VCAM-Ig to a suspension of Jurkat cells (a human T...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
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Ligand Info
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In Depth
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Article
PubMed
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Target
Integrin alpha-4/beta-1
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50108325
((S)-3-(4-tert-Butoxy-phenyl)-2-{[(S)-1-(3,5-dichlo...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.220nM
Assay Description:
Inhibition of MadCAM-Ig binding to alpha-4 beta-7 integrin
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Integrin alpha-4/beta-7
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50108325
((S)-3-(4-tert-Butoxy-phenyl)-2-{[(S)-1-(3,5-dichlo...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 116nM
Assay Description:
Inhibition of [125I]VCAM-Ig binding to Alpha4-beta7 integrin of RPMI-8866 cells
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI