BindingDB logo
myBDB logout

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)
LigandTarget/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
pHTemp
°C
Carbonic anhydrase


(Homo sapiens (human))
BDBM50159793
PNG
(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+4n/an/an/an/an/an/an/an/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
3D Structure (crystal)
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50159793
PNG
(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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.60E+4n/an/an/an/an/an/an/an/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
PNG
(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 -5.39n/an/an/an/an/a8.320



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.


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159793
PNG
(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+5n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159793
PNG
(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+5n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50159793
PNG
(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+5n/an/an/an/an/an/an/an/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
PNG
(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+7n/an/an/an/an/an/an/an/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
PNG
(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+8n/an/an/an/an/an/an/an/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