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BDBM92964 CHEMBL182928::Oxalate

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

InChI Key: InChIKey=MOSFIJXAXDLOML-UHFFFAOYSA-N

Data: 8 KI

PDB links: 73 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
(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
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S//
PDB
MMDB

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KEGG

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Article
PubMed
99n/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


Citation and Details
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S//
SMPDB pathway
KEGG

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PC cid
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PubMed
3.77E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Nce103


Citation and Details
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S//
PDB
MMDB

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KEGG

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Article
PubMed
4.30E+4n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
β-Carbonic anhydrase (CA1)


(Flaveria bidentis (Coastal plain yellowtops))
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S//
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PubMed
9.30E+4 -5.40n/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))
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S//
PDB
MMDB

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Article
PubMed
9.90E+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


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


(Homo sapiens (human))
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S//
PDB
MMDB

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KEGG

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PubMed
9.90E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase2


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S//
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CHEMBL
PC cid
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Article
PubMed
2.23E+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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S//
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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UniChem

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Article
PubMed
3.28E+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


Citation and Details
More data for this
Ligand-Target Pair