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BDBM19473 2-Oxopropanoate::2-oxopropanoic acid::Pyruvate

SMILES: CC(=O)C(O)=O

InChI Key: InChIKey=LCTONWCANYUPML-UHFFFAOYSA-N

Data: 4 KI  2 IC50  2 ITC

PDB links: 184 PDB IDs match this monomer. 127 PDB IDs contain this monomer as substructures. 127 PDB IDs contain inhibitors having a similarity of 90% to 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 6 hits for monomerid = 19473   
Target
(Institution)
LigandTarget
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
Monocarboxylate transporter 2


(Rattus norvegicus)
BDBM19473
PNG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
Show SMILES CC(=O)C(O)=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
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Article
PubMed
8.00E+4n/an/an/an/an/an/an/an/a



Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes


Biochem J 341: 529-35 (1999)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM19473
PNG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
Show SMILES CC(=O)C(O)=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
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KEGG
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Article
PubMed
2.71E+5n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM19473
PNG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
Show SMILES CC(=O)C(O)=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
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Article
PubMed
1.19E+7n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Prostaglandin Transporter


(HUMAN)
BDBM19473
PNG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
Show SMILES CC(=O)C(O)=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
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Article
PubMed
2.60E+7n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells


Am J Physiol Renal Physiol 282: 1097-102 (2002)

More data for this
Ligand-Target Pair
C-terminal-binding protein 2


(Homo sapiens (Human))
BDBM19473
PNG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
Show SMILES CC(=O)C(O)=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, The Institute for Structural Biology, Drug Discovery, and Development, and the Massey Cancer Center, Virginia Commonwealth University, Richmond,

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus...


Bioorg Med Chem 24: 2707-15 (2016)

More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens)
BDBM19473
PNG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
Show SMILES CC(=O)C(O)=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
PDB
MMDB

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B.MOAD
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...


J Med Chem 56: 3680-8 (2013)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 19473
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Acetate Operon Repressor (C-IclR)

(Escherichia coli)
BDBM19473
JPEG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
GoogleScholar
KEGG
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
7.208.57-1.373.817.4025


TBA



Details of this binding reaction

Acetate Operon Repressor (IclR)

(Escherichia coli)
BDBM19473
JPEG
(2-Oxopropanoate | 2-oxopropanoic acid | Pyruvate)
GoogleScholar
KEGG
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-5.793.497.4025


TBA



Details of this binding reaction