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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
Adenosine receptor A2b
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)
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Affinity Data
Ki: 2nM
Assay Description:
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding 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
Similars
In Depth
Details
Article
PubMed
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)
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Affinity Data
IC50: 5.00E+3nM
Assay Description:
Inhibition of CYP3A4 in human liver microsomes
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
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Target
Cytochrome P450 2D6
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)
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Affinity Data
IC50: >2.50E+4nM
Assay Description:
Inhibition of CYP2D6 in human liver microsomes
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
Cytochrome P450 2C9
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)
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Affinity Data
IC50: 2.50E+4nM
Assay Description:
Inhibition of CYP2C9 in human liver microsomes
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
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Target
Cytochrome P450 1A2
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)
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Affinity Data
IC50: 2.50E+4nM
Assay Description:
Inhibition of CYP1A2 in human liver microsomes
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
Target
Cytochrome P450 2C19
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >2.50E+4nM
Assay Description:
Inhibition of CYP2C19 in human liver microsomes
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