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BDBM50344897 CHEMBL1076681::Sodium Borate::Sodium tetraborate(VII)::sodium tetraborate

SMILES: O=BO[B-](=O)O[B-](=O)OB=O

InChI Key: InChIKey=QIHRQKFHRODZNP-UHFFFAOYSA-N

Data: 10 KI

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 10 hits for monomerid = 50344897   
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 1


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
MMDB

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6.40E+5n/an/an/an/an/an/a8.3n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay at pH 8.3


Bioorg Med Chem Lett 21: 3591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.105
BindingDB Entry DOI: 10.7270/Q2930TGN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
MMDB

NCI pathway
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6.40E+5n/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 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 7142-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.065
BindingDB Entry DOI: 10.7270/Q2930VB8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
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6.40E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 1636-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.084
BindingDB Entry DOI: 10.7270/Q2VD70TX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
MMDB

NCI pathway
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KEGG

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6.40E+5n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 1314-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.085
BindingDB Entry DOI: 10.7270/Q2W66M7M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
MMDB

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9.50E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 7142-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.065
BindingDB Entry DOI: 10.7270/Q2930VB8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
MMDB

Reactome pathway
KEGG

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UniChem
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9.50E+5n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 1626-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.087
BindingDB Entry DOI: 10.7270/Q23X8806
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
MMDB

Reactome pathway
KEGG

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UniChem
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9.50E+5n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 1314-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.085
BindingDB Entry DOI: 10.7270/Q2W66M7M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
MMDB

Reactome pathway
KEGG

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UniChem
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9.50E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 1636-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.084
BindingDB Entry DOI: 10.7270/Q2VD70TX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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GoogleScholar
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CHEMBL
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UniChem
Article
PubMed
9.50E+5n/an/an/an/an/an/a8.3n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay at pH 8.3


Bioorg Med Chem Lett 21: 3591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.105
BindingDB Entry DOI: 10.7270/Q2930TGN
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Astrosclera willeyana)
BDBM50344897
PNG
(CHEMBL1076681 | Sodium Borate | Sodium tetraborate...)
Show SMILES O=BO[B-](=O)O[B-](=O)OB=O
Show InChI InChI=1S/B4O7/c5-1-9-3(7)11-4(8)10-2-6/q-2
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
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PC sid
UniChem
Article
PubMed
2.19E+7n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Astrosclera willeyana recombinant GST-tagged astrosclerin 3 expressed in Escherichia coli BL21-DE3-RIPL cells preincubated for 15 mins ...


Bioorg Med Chem Lett 22: 1314-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.085
BindingDB Entry DOI: 10.7270/Q2W66M7M
More data for this
Ligand-Target Pair