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BDBM50159792 CHEMBL181886::Natriumpyruvat::Pyruvate::pyruvic acid, sodium salt::sodium 2-oxopropanoate::sodium pyruvate

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

InChI Key: InChIKey=LCTONWCANYUPML-UHFFFAOYSA-M

Data: 8 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50159792   
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 4


(Homo sapiens (Human))
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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PubMed
1.45E+4n/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)


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))
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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PubMed
1.06E+5n/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)


Article DOI: 10.1016/j.bmc.2009.02.058
BindingDB Entry DOI: 10.7270/Q2TD9X8C
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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1.12E+6n/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)


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))
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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2.11E+6n/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)


Article DOI: 10.1016/j.bmc.2009.02.058
BindingDB Entry DOI: 10.7270/Q2TD9X8C
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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2.11E+6n/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)


Article DOI: 10.1016/j.bmcl.2004.11.057
BindingDB Entry DOI: 10.7270/Q2TH8M6D
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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5.50E+6n/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)


Article DOI: 10.1016/j.bmcl.2004.11.057
BindingDB Entry DOI: 10.7270/Q2TH8M6D
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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7.20E+6n/an/an/an/an/an/an/an/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
β-Carbonic anhydrase (CA1)


(Flaveria bidentis (Coastal plain yellowtops))
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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>1.00E+7>-2.68n/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.


J Enzyme Inhib Med Chem 29: 500-4 (2014)


BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair