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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
6
hits in this display
Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Shanghai Jiao Tong University
Curated by
ChEMBL
Ligand
BDBM50439848
(CHEMBL2420082)
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Affinity Data
IC50: 7.30nM
Assay Description:
Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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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
Cytochrome P450 1A1
(Homo sapiens (Human))
Shanghai Jiao Tong University
Curated by
ChEMBL
Ligand
BDBM50439848
(CHEMBL2420082)
Copy SMILES
Copy InChI
Affinity Data
IC50: 31nM
Assay Description:
Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 1A2
(Homo sapiens (Human))
Shanghai Jiao Tong University
Curated by
ChEMBL
Ligand
BDBM50439848
(CHEMBL2420082)
Copy SMILES
Copy InChI
Affinity Data
IC50: 98nM
Assay Description:
Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
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
BDBM50439848
(CHEMBL2420082)
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Affinity Data
IC50: 1.28E+3nM
Assay Description:
Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of Hoechst 33342 preincubated for 30 mins before Hoechst 33342 addition me...
More data for this Ligand-Target Pair
Target Info
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
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
BDBM50439848
(CHEMBL2420082)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.29E+3nM
Assay Description:
Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of pheophorbide-A preincubated for 30 mins before pheophorbide-A addition ...
More data for this Ligand-Target Pair
Target Info
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Multidrug resistance-associated protein 1
(Homo sapiens (Human))
University Of Bonn
Curated by
ChEMBL
Ligand
BDBM50439848
(CHEMBL2420082)
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Copy InChI
Affinity Data
IC50: 9.86E+3nM
Assay Description:
Inhibition of MRP1 (unknown origin) expressed in human 2008 cells assessed as calcein-AM accumulation preincubated for 30 mins before calcein-AM addi...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI