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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
4
hits in this display
Target
Cytochrome P450 1A1
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50252422
(CHEBI:63672 | CHEMBL498917)
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Affinity Data
Ki: 130nM
Assay Description:
Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
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Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50252422
(CHEBI:63672 | CHEMBL498917)
Copy SMILES
Copy InChI
Affinity Data
Ki: 900nM
Assay Description:
Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
TBA
Ligand
BDBM50252422
(CHEBI:63672 | CHEMBL498917)
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Affinity Data
IC50: 250nM
Assay Description:
Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
PubMed
Copy BDB DOI
Target
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human))
TBA
Ligand
BDBM50252422
(CHEBI:63672 | CHEMBL498917)
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Affinity Data
IC50: 4.01E+3nM
Assay Description:
Inhibition of recombinant human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
PubMed
Copy BDB DOI