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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
23
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Target
Carbonic anhydrase 4
(Homo sapiens (Human))
Università
Curated by
ChEMBL
Ligand
BDBM50159797
(CHEMBL359504 | Sodium; Malonate | sodium malonate)
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Affinity Data
Ki: 2.80E+3nM
Assay Description:
Binding affinity against human cytosolic Carbonic anhydrase IV
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Target
Carbonic anhydrase
(Candida albicans (Yeast))
Università
Curated by
ChEMBL
Ligand
BDBM50159797
(CHEMBL359504 | Sodium; Malonate | sodium malonate)
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Affinity Data
Ki: 2.63E+4nM
Assay Description:
Inhibition of Candida albicans Nce103
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Target
Serine racemase
(Mus musculus)
Academy Of Sciences Of The Czech Republic
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
Ki: 2.70E+4nM
Assay Description:
Inhibition of mouse serine racemase by Lineweaver-Burk plot
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Target
Serine racemase
(Homo sapiens (Human))
University Of Toyama
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
Ki: 3.30E+4nM
Assay Description:
Binding affinity to serine recemase (unknown origin)
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Target
Serine racemase
(Homo sapiens (Human))
University Of Toyama
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
Ki: 5.90E+4nM
Assay Description:
Inhibition of human recombinant serine racemase expressed in Escherichia coli Rosetta 2 (DE3) cells using L-serine as substrate by horseradish peroxi...
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Target
Serine racemase
(Homo sapiens (Human))
University Of Toyama
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
Ki: 6.60E+4nM
Assay Description:
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...
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Target
Serine racemase
(Mus musculus)
Academy Of Sciences Of The Czech Republic
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
Ki: 7.10E+4nM
Assay Description:
Inhibition of mouse recombinant serine racemase transfected in bacterial expression system
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Target
Carbonic anhydrase [110-330]
(Flaveria bidentis (Coastal plain yellowtops))
Istituto Di Biostrutture E Bioimmagini-Cnr
Ligand
BDBM50159797
(CHEMBL359504 | Sodium; Malonate | sodium malonate)
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Affinity Data
Ki: 1.00E+5nM ΔG°: -22.4kJ/mole
pH: 8.3 T: 2°C
Assay Description:
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.
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Target
D-aspartate oxidase
(Homo sapiens (Human))
Kitasato University
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
Ki: 1.53E+5nM
Assay Description:
Binding affinity to human recombinant DDO
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Target
D-aspartate oxidase
(Mus musculus)
Kitasato University
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
Ki: 1.22E+6nM
Assay Description:
Inhibition of mouse recombinant DDO using D-Asp
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Target
Carbonic anhydrase 9
(Homo sapiens (Human))
Università
Curated by
ChEMBL
Ligand
BDBM50159797
(CHEMBL359504 | Sodium; Malonate | sodium malonate)
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Affinity Data
Ki: 1.27E+6nM
Assay Description:
Binding affinity against human cytosolic Carbonic anhydrase IX
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Target
RCG38204, isoform CRA_d
(Rattus norvegicus)
Kitasato University
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
Ki: 1.56E+6nM
Assay Description:
Inhibition of rat recombinant DDO using D-Asp
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Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Università
Curated by
ChEMBL
Ligand
BDBM50159797
(CHEMBL359504 | Sodium; Malonate | sodium malonate)
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Affinity Data
Ki: 1.62E+6nM
Assay Description:
Binding affinity against human cytosolic Carbonic anhydrase II
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Target
Carbonic anhydrase 2
(Homo sapiens (Human))
Università
Curated by
ChEMBL
Ligand
BDBM50159797
(CHEMBL359504 | Sodium; Malonate | sodium malonate)
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Affinity Data
Ki: 1.62E+6nM
Assay Description:
Inhibition of human carbonic anhydrase2
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Target
Carbonic anhydrase 5A, mitochondrial
(Homo sapiens (Human))
Università
Curated by
ChEMBL
Ligand
BDBM50159797
(CHEMBL359504 | Sodium; Malonate | sodium malonate)
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Affinity Data
Ki: 6.00E+6nM
Assay Description:
Binding affinity against human cytosolic Carbonic anhydrase V
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Target
Serine racemase
(Homo sapiens (Human))
University Of Toyama
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
IC50: 2.49E+4nM
Assay Description:
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...
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Target
Serine racemase
(Mus musculus)
Academy Of Sciences Of The Czech Republic
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
Copy SMILES
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Affinity Data
IC50: 6.70E+4nM
Assay Description:
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis
More data for this Ligand-Target Pair
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Target
D-aspartate oxidase
(Homo sapiens (Human))
Kitasato University
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
IC50: 8.79E+5nM
Assay Description:
Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...
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Target
Serine racemase
(Homo sapiens (Human))
University Of Toyama
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
IC50: 1.31E+6nM
Assay Description:
Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production af...
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Target
D-aspartate oxidase
(Homo sapiens (Human))
Kitasato University
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
Copy SMILES
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Affinity Data
IC50: 1.36E+6nM
Assay Description:
Inhibition of human recombinant N-terminal His-tagged DDO expressed in Escherichia coli BL21(DE3) using D-aspartate as substrate by colorimetric assa...
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Target
D-amino-acid oxidase
(Homo sapiens (Human))
Kitasato University
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
Copy SMILES
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Affinity Data
IC50: >1.00E+7nM
Assay Description:
Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...
More data for this Ligand-Target Pair
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Target
D-amino-acid oxidase
(Homo sapiens (Human))
Kitasato University
Curated by
ChEMBL
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
Copy SMILES
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Affinity Data
IC50: >1.00E+7nM
Assay Description:
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by colorimetric assay
More data for this Ligand-Target Pair
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Target
Proto-oncogene tyrosine-protein kinase Src [145-252]
(Homo sapiens (Human))
Aventis Pharma
Ligand
BDBM14673
(Fragment 3 | Malonic Acid | propanedioic acid)
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Affinity Data
IC50: >4.00E+7nM
pH: 7.4 T: 2°C
Assay Description:
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...
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