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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
6
hits in this display
Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Xenova
Curated by
ChEMBL
Ligand
BDBM50140870
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
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Affinity Data
IC50: 78nM
Assay Description:
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Xenova
Curated by
ChEMBL
Ligand
BDBM50140870
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 138nM
Assay Description:
In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
Xenova
Curated by
ChEMBL
Ligand
BDBM50140870
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: <250nM
Assay Description:
Inhibitory concentration against multidrug resistance associated protein 1
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
ATP-dependent translocase ABCB1
(Mus musculus (Mouse))
Xenova
Curated by
ChEMBL
Ligand
BDBM50140870
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
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Affinity Data
IC50: 1.02E+3nM
Assay Description:
Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in single-dose potentiation assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
ATP-dependent translocase ABCB1
(Mus musculus (Mouse))
Xenova
Curated by
ChEMBL
Ligand
BDBM50140870
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.05E+4nM
Assay Description:
In vitro inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in accumulation assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Xenova
Curated by
ChEMBL
Ligand
BDBM50140870
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.50E+4nM
Assay Description:
Inhibitory activity against cytochrome P450 3A4
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI