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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
5
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Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Alcon Research
Ligand
BDBM11391
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
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Affinity Data
Ki: 0.150nM ΔG°: -58.3kJ/mole
pH: 7.4 T: 2°C
Assay Description:
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...
More data for this Ligand-Target Pair
Target Info
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MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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Ligand Info
DrugBank
MMDB
PC cid
PC sid
PDB
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In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
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Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Alcon Research
Ligand
BDBM11391
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
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Affinity Data
IC50: 1.27nM
pH: 7.2 T: 2°C
Assay Description:
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
DrugBank
MMDB
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Alcon Research
Ligand
BDBM11391
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
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Affinity Data
IC50: 1.30nM
Assay Description:
Concentration which produces 50% inhibition of human Carbonic anhydrase II
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
DrugBank
MMDB
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
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Target
Carbonic anhydrase 4
(Homo sapiens (Human))
University Of Pennsylvania
Curated by
ChEMBL
Ligand
BDBM11391
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
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Affinity Data
IC50: 7.40nM
Assay Description:
Concentration which produces 50% Inhibition of human Carbonic anhydrase IV
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
DrugBank
MMDB
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Carbonic anhydrase 4
(Homo sapiens (Human))
University Of Pennsylvania
Curated by
ChEMBL
Ligand
BDBM11391
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 7.41nM
Assay Description:
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
DrugBank
MMDB
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI