BDBM92964 CHEMBL182928::Oxalate

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

InChI Key: InChIKey=MUBZPKHOEPUJKR-UHFFFAOYSA-L

Data: 8 KI

PDB links: 123 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 92964   

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
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM92964 (CHEMBL182928 | Oxalate) Show SMILES [O-]C(=O)C([O-])=O Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	99	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
					More data for this Ligand-Target Pair
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM92964 (CHEMBL182928 | Oxalate) Show SMILES [O-]C(=O)C([O-])=O Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	3.77E+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
					More data for this Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872) (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM92964 (CHEMBL182928 | Oxalate) Show SMILES [O-]C(=O)C([O-])=O Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Biotechnology Institute					Assay Description Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.				Biochemistry 47: 167-82 (2008) Article DOI: 10.1021/bi701954p BindingDB Entry DOI: 10.7270/Q20V8BDS
					More data for this Ligand-Target Pair				3D Structure (crystal)
β-Carbonic anhydrase (CA1) (Flaveria bidentis (Coastal plain yellowtops))	BDBM92964 (CHEMBL182928 | Oxalate) Show SMILES [O-]C(=O)C([O-])=O Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	9.30E+4	-5.40	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
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM92964 (CHEMBL182928 | Oxalate) Show SMILES [O-]C(=O)C([O-])=O Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	9.90E+5	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
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM92964 (CHEMBL182928 | Oxalate) Show SMILES [O-]C(=O)C([O-])=O Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	9.90E+5	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
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM92964 (CHEMBL182928 | Oxalate) Show SMILES [O-]C(=O)C([O-])=O Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.23E+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
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM92964 (CHEMBL182928 | Oxalate) Show SMILES [O-]C(=O)C([O-])=O Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	3.28E+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 IX				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
					More data for this Ligand-Target Pair