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BDBM26997 CHEMBL364571::PhAsO3H2::benzenarsonic acid::benzenearsonic acid::phenylarsonic acid

SMILES: O[As](O)(=O)c1ccccc1

InChI Key: InChIKey=LVKZSFMYNWRPJX-UHFFFAOYSA-N

Data: 53 KI

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

Found 53 hits for monomerid = 26997   
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 2


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
4.92E+7 -1.75n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
4.92E+7n/an/an/an/an/an/an/an/a



CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 4800-4804 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.92E+7n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 19: 1155-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.082
BindingDB Entry DOI: 10.7270/Q2KD1W79
More data for this
Ligand-Target Pair
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