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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
15
hits in this display
Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
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Affinity Data
IC50: 54nM
Assay Description:
Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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Article
PubMed
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Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 100nM
Assay Description:
Inhibition of recombinant human liver CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substr...
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 1B1
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 151nM
Assay Description:
Inhibition of recombinant human CYP1B1 expressed in yeast cells using 7-ethoxyresorufin as substrate by fluorescence assay
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
Beta-glucuronidase
(Homo sapiens (Human))
University Of Kwazulu-Natal
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
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Affinity Data
IC50: 2.80E+3nM
Assay Description:
Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-d-glucuronide as substrate after 30 mins
More data for this Ligand-Target Pair
Target Info
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UniProtKB/SwissProt
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Target
Beta-glucuronidase
(Homo sapiens (Human))
University Of Kwazulu-Natal
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
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Affinity Data
IC50: 2.80E+3nM
Assay Description:
Inhibition of beta-glucuronidase activity (unknown origin) assessed as p-nitrophenol formation after 30 mins using p-nitrophenyl-beta-D-glucuronide a...
More data for this Ligand-Target Pair
Target Info
PDB
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UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
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Article
PubMed
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Target
Beta-glucuronidase
(Bos taurus (Bovine))
University Of Karachi
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
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Affinity Data
IC50: 2.80E+3nM
Assay Description:
Antagonistic activity for inhibition of histamine H2 receptor from anesthetized rats
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
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CHEMBL
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Article
PubMed
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Target
Cytochrome P450 1A1
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
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Copy InChI
Affinity Data
IC50: 3.50E+3nM
Assay Description:
Inhibition of recombinant human CYP1A1 expressed in yeast cells using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 1A1
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4.40E+3nM
Assay Description:
Inhibition of human CYP1A1 expressed in yeast microsomal membranes using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate by fluorescence assa...
More data for this Ligand-Target Pair
Target Info
PDB
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 1A1
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >4.50E+3nM
Assay Description:
Inhibition of recombinant human liver CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substr...
More data for this Ligand-Target Pair
Target Info
PDB
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 1A2
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
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Affinity Data
IC50: >1.00E+4nM
Assay Description:
Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin/7-ethoxy-methyloxy-3-cyanocoumari...
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
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
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Affinity Data
IC50: >1.00E+4nM
Assay Description:
Inhibition of human CYP3A4 expressed in yeast microsomal membranes using dibenzylfluorescein as substrate by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+4nM
Assay Description:
Inhibition of human CYP2D6 expressed in yeast microsomal membranes using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate by fluorescence 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 2C19
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of human CYP2C19 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
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 2C9
(Homo sapiens (Human))
Birla Institute Of Technology
Curated by
ChEMBL
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of human CYP2C9 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
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
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In Depth
Details
Article
PubMed
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Target
Thymidine phosphorylase
(Escherichia coli (Enterobacteria))
University of Karachi
Ligand
BDBM50019170
(2-(3'-Hydroxy-4'-methoxyphenyl)quinazolin-...)
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Affinity Data
IC50: 1.69E+5nM
pH: 7.0
Assay Description:
TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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