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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
ATP-dependent translocase ABCB1
(Homo sapiens (Human))
University Of Bonn
Curated by
ChEMBL
Ligand
BDBM50241470
(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
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Affinity Data
IC50: 1.23E+4nM
Assay Description:
Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
ATP-dependent translocase ABCB1
(Homo sapiens (Human))
University Of Bonn
Curated by
ChEMBL
Ligand
BDBM50241470
(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.35E+4nM
Assay Description:
Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
ATP-dependent translocase ABCB1
(Homo sapiens (Human))
University Of Bonn
Curated by
ChEMBL
Ligand
BDBM50241470
(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.40E+4nM
Assay Description:
Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human))
University Of Bonn
Curated by
ChEMBL
Ligand
BDBM50241470
(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
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Copy InChI
Affinity Data
IC50: 4.57E+4nM
Assay Description:
Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay
More data for this Ligand-Target Pair
Target Info
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human))
University Of Bonn
Curated by
ChEMBL
Ligand
BDBM50241470
(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 5.13E+4nM
Assay Description:
Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining
More data for this Ligand-Target Pair
Target Info
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human))
University Of Bonn
Curated by
ChEMBL
Ligand
BDBM50241470
(CHEMBL258456 | N-(4-(2-(3,4-dihydroisoquinolin-2(1...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 7.94E+4nM
Assay Description:
Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay
More data for this Ligand-Target Pair
Target Info
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI