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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
11
hits in this display
Target
Integrin alpha-V/beta-6
(Homo sapiens (Human))
University Of Bradford
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
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Affinity Data
IC50: 4nM
Assay Description:
Antagonist activity at alphavbeta6 integrin receptor (unknown origin) by cell-free ELISA
More data for this Ligand-Target Pair
Target Info
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UniProtKB/SwissProt
antibodypedia
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Article
PubMed
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Target
Integrin alpha-V/beta-6
(Homo sapiens (Human))
University Of Bradford
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
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Affinity Data
IC50: 4nM
Assay Description:
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin
More data for this Ligand-Target Pair
Target Info
PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
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PC sid
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In Depth
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Article
PubMed
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Target
Integrin alpha-V/beta-3
(Homo sapiens (Human))
Merck
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
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Affinity Data
IC50: 13nM
Assay Description:
Inhibition of vitronectin binding to recombinant human alphaV-beta3 integrin
More data for this Ligand-Target Pair
Target Info
PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
Patents
In Depth
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Article
PubMed
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Target
Integrin alpha-V/beta-3
(Homo sapiens (Human))
Merck
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 13nM
Assay Description:
Antagonist activity at alphavbeta3 integrin receptor (unknown origin) by cell-free ELISA
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Integrin alpha-V/beta-5
(Homo sapiens (Human))
University Of Bradford
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
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Affinity Data
IC50: 42nM
Assay Description:
Antagonist activity at alphavbeta5 integrin receptor (unknown origin) by cell-free ELISA
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Integrin alpha-V/beta-5
(Homo sapiens (Human))
University Of Bradford
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 42nM
Assay Description:
Inhibition of vitronectin binding to recombinant human alphaV-beta5 integrin
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Integrin alpha-V/beta-6
(Homo sapiens (Human))
University Of Bradford
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
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Affinity Data
IC50: 90nM
Assay Description:
Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin
More data for this Ligand-Target Pair
Target Info
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UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
Patents
In Depth
Details
Article
PubMed
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Target
Cytochrome P450 2E1
(Homo sapiens (Human))
Telormedix
US Patent
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
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Affinity Data
IC50: 850nM
Assay Description:
The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
Patents
In Depth
Details
US Patent
Copy BDB DOI
Target
Integrin alpha-V/beta-5
(Homo sapiens (Human))
University Of Bradford
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.20E+3nM
Assay Description:
Inhibition of integrin alpha-v/beta-5 mediated UCLAP-3 cell adhesion on vitronectin
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Integrin alpha-V/beta-3
(Homo sapiens (Human))
Merck
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
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Affinity Data
IC50: 6.90E+3nM
Assay Description:
Inhibition of integrin alpha-v/beta-3 mediated M21 cell adhesion to vitronectin with monoclonal antibody P1F6
More data for this Ligand-Target Pair
Target Info
PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
Patents
In Depth
Details
Article
PubMed
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Target
Integrin alpha-IIb/beta-3
(Homo sapiens (Human))
Merck
Curated by
ChEMBL
Ligand
BDBM50110231
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
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Affinity Data
IC50: 7.30E+3nM
Assay Description:
Inhibition of fibrinogen binding to recombinant human platelet glycoprotein alpha IIb beta3 integrin
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI