BDBM50159793 CHEMBL1354::Natriumazetat::SODIUM ACETATE ANHYDROUS::acetic acid, sodium salt::anhydrous sodium acetate::sodium acetate

SMILES: CC([O-])=O

InChI Key: InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M

Data: 8 KI

PDB links: 3942 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 = 50159793   

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 (Homo sapiens (human))	BDBM50159793 (CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...) Show SMILES CC([O-])=O Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.08E+4	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)
					More data for this Ligand-Target Pair				3D Structure (crystal)
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM50159793 (CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...) Show SMILES CC([O-])=O Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.60E+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)
					More data for this Ligand-Target Pair
β-Carbonic anhydrase (CA1) (Flaveria bidentis (Coastal plain yellowtops))	BDBM50159793 (CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...) Show SMILES CC([O-])=O Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	9.51E+4	-5.39	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)
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (human))	BDBM50159793 (CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...) Show SMILES CC([O-])=O Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30E+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)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (human))	BDBM50159793 (CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...) Show SMILES CC([O-])=O Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30E+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)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (human))	BDBM50159793 (CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...) Show SMILES CC([O-])=O Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+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 IV				Bioorg Med Chem Lett 15: 573-8 (2005)
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (human))	BDBM50159793 (CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...) Show SMILES CC([O-])=O Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.59E+7	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)
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (human))	BDBM50159793 (CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...) Show SMILES CC([O-])=O Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents 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)
					More data for this Ligand-Target Pair