BindingDB PrimarySearch

BDBM36181 SODIUM BENZOATE::benzoate::benzoic acid::benzoic acid-d5

SMILES: [O-]C(=O)c1ccccc1

InChI Key: InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M

Data: 13 KI 5 IC50 3 Kd 1 EC50 5 ITC

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 36181
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	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 human recombinant DAO expressed in Escherichia coli BL21(DE3) by oxygraphic assay				J Med Chem 56: 1894-907 (2013) Article DOI: 10.1021/jm3017865 BindingDB Entry DOI: 10.7270/Q2H70H4P
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	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 human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot...				J Med Chem 56: 1894-907 (2013) Article DOI: 10.1021/jm3017865 BindingDB Entry DOI: 10.7270/Q2H70H4P
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 20 (Mus musculus)	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Candida albicans Nce103				Bioorg Med Chem 17: 2654-7 (2009) Article DOI: 10.1016/j.bmc.2009.02.058 BindingDB Entry DOI: 10.7270/Q2TD9X8C
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase2				Bioorg Med Chem 17: 2654-7 (2009) Article DOI: 10.1016/j.bmc.2009.02.058 BindingDB Entry DOI: 10.7270/Q2TD9X8C
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase II				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
β-Carbonic anhydrase (CA1) (Flaveria bidentis (Coastal plain yellowtops))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	6.45E+4	-5.62	n/a	n/a	n/a	n/a	n/a	8.3	20
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.				J Enzyme Inhib Med Chem 29: 500-4 (2014) Article DOI: 10.3109/14756366.2013.813942 BindingDB Entry DOI: 10.7270/Q2WD3ZGT
Istituto di Biostrutture e Bioimmagini-CNR					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	7.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase IV				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	2.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	7.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2521-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.057 BindingDB Entry DOI: 10.7270/Q2X63N76
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	7.01E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase V				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.50E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Serine racemase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem 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 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
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
D-Aspartate Oxidase (DDO) (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem 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 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
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO at 442 nm spectral modification by spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO by stopped flow spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.69E+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 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
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.57E+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 DAO expressed in Escherichia coli BL21(DE3) using D-alanine as substrate by colorimetric assay				J Med Chem 56: 1894-907 (2013) Article DOI: 10.1021/jm3017865 BindingDB Entry DOI: 10.7270/Q2H70H4P
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO at 492 nm spectral modification by spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGluR5a transfected in HEK293 cells by calcium mobilization assay				J Med Chem 56: 7243-59 (2013) Article DOI: 10.1021/jm400650w BindingDB Entry DOI: 10.7270/Q2F19152
Janssen Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM36181 (SODIUM BENZOATE \| benzoate \| benzoic acid \| benzoi...) Show SMILES [O-]C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 36181
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM36127	BDBM36181	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid	-2.51	-0.669	-1.83	1.84	6.90	25
Japan Science and Technology Agency	BDBM36181	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid	J Am Chem Soc 124: 12361-71 (2002)
BDBM36127	BDBM36181	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid	-2.58	-0.762	-1.83	1.89	6.90	25
Japan Science and Technology Agency	BDBM36181	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid	J Am Chem Soc 124: 12361-71 (2002)
BDBM36127	BDBM36181	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid	-2.46	-0.577	-1.89	1.81	6.90	25
Japan Science and Technology Agency	BDBM36181	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid	J Am Chem Soc 124: 12361-71 (2002)
BDBM36127	BDBM36181	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid	-2.55	-0.741	-1.82	1.87	6.90	25
Japan Science and Technology Agency	BDBM36181	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid	J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36181	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid	-1.64	0.869	-2.51	1.20	6.90	25
NIST	BDBM36181	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid	J Phys Chem B 101: 87-100 (1997)