BDBM14673 Fragment 3::Malonic Acid::propanedioic acid
SMILES: OC(=O)CC(O)=O
InChI Key: InChIKey=OFOBLEOULBTSOW-UHFFFAOYSA-N
PDB links: 190 PDB IDs match this monomer. 21 PDB IDs contain this monomer as substructures. 21 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Serine racemase (Mus musculus) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic Curated by ChEMBL | Assay Description Inhibition of mouse serine racemase by Lineweaver-Burk plot | Eur J Med Chem 89: 189-97 (2014) Article DOI: 10.1016/j.ejmech.2014.10.043 BindingDB Entry DOI: 10.7270/Q22N53WK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine racemase (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toyama Curated by ChEMBL | Assay Description Binding affinity to serine recemase (unknown origin) | Bioorg Med Chem Lett 24: 3732-5 (2014) Article DOI: 10.1016/j.bmcl.2014.07.003 BindingDB Entry DOI: 10.7270/Q2PR7XNR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine racemase (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 5.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma Curated by ChEMBL | Assay Description Inhibition of human recombinant serine racemase expressed in Escherichia coli Rosetta 2 (DE3) cells using L-serine as substrate by horseradish peroxi... | Bioorg Med Chem Lett 25: 4297-303 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine racemase (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma Curated by ChEMBL | Assay Description Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red... | Bioorg Med Chem Lett 25: 4297-303 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine racemase (Mus musculus) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry and Biochemistry of the ASCR Curated by ChEMBL | Assay Description Inhibition of mouse recombinant serine racemase transfected in bacterial expression system | J Med Chem 52: 6032-41 (2009) Article DOI: 10.1021/jm900775q BindingDB Entry DOI: 10.7270/Q29G5NRV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D-Aspartate Oxidase (DDO) (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.53E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Binding affinity to human recombinant DDO | J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D-aspartate oxidase (Mus musculus) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.22E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Inhibition of mouse recombinant DDO using D-Asp | J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D-aspartate oxidase (Rattus norvegicus) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.56E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Inhibition of rat recombinant DDO using D-Asp | J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (aa 145-252) (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | n/a | n/a | >4.00E+7 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Aventis Pharma | 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... | J Med Chem 46: 5184-95 (2003) Article DOI: 10.1021/jm020970s BindingDB Entry DOI: 10.7270/Q2XW4H14 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
D-amino-acid oxidase (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | 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 ... | J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine racemase (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.31E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toyama Curated by ChEMBL | Assay Description Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production af... | Bioorg Med Chem Lett 24: 3732-5 (2014) Article DOI: 10.1016/j.bmcl.2014.07.003 BindingDB Entry DOI: 10.7270/Q2PR7XNR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D-amino-acid oxidase (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | 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 | J Med Chem 56: 1894-907 (2013) Article DOI: 10.1021/jm3017865 BindingDB Entry DOI: 10.7270/Q2H70H4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine racemase (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | 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... | J Med Chem 56: 1894-907 (2013) Article DOI: 10.1021/jm3017865 BindingDB Entry DOI: 10.7270/Q2H70H4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D-Aspartate Oxidase (DDO) (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.36E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | 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... | J Med Chem 56: 1894-907 (2013) Article DOI: 10.1021/jm3017865 BindingDB Entry DOI: 10.7270/Q2H70H4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine racemase (Mus musculus) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic Curated by ChEMBL | Assay Description Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis | Eur J Med Chem 89: 189-97 (2014) Article DOI: 10.1016/j.ejmech.2014.10.043 BindingDB Entry DOI: 10.7270/Q22N53WK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D-Aspartate Oxidase (DDO) (Homo sapiens (Human)) | BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 8.79E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | 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 ... | J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R | |||||||||||
More data for this Ligand-Target Pair |