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BDBM50164079 (OC-6-11)-hexafluoroaluminate(3-)::AlF6(3-)::CHEMBL181624::[AlF6](3-)::hexafluoridoaluminate(3-)::hexafluoroaluminate(3-)

SMILES: F[Al-3](F)(F)(F)(F)F

InChI Key: InChIKey=SEGUCIUJQMRTGG-UHFFFAOYSA-H

Data: 5 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 5 hits for monomerid = 50164079   
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 9


(Homo sapiens (Human))
BDBM50164079
PNG
((OC-6-11)-hexafluoroaluminate(3-) | AlF6(3-) | CHE...)
Show SMILES F[Al-3](F)(F)(F)(F)F
Show InChI InChI=1S/Al.6FH/h;6*1H/q+3;;;;;;/p-6
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.85E+7n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human isozymes carbonic anhydrase IX for the CO2 hydration reaction at 20 C


Bioorg Med Chem Lett 15: 1909-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.082
BindingDB Entry DOI: 10.7270/Q2CR5SWP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50164079
PNG
((OC-6-11)-hexafluoroaluminate(3-) | AlF6(3-) | CHE...)
Show SMILES F[Al-3](F)(F)(F)(F)F
Show InChI InChI=1S/Al.6FH/h;6*1H/q+3;;;;;;/p-6
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KEGG

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UniChem
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PubMed
4.36E+7n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human isozymes carbonic anhydrase V for the CO2 hydration reaction at 20 C


Bioorg Med Chem Lett 15: 1909-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.082
BindingDB Entry DOI: 10.7270/Q2CR5SWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50164079
PNG
((OC-6-11)-hexafluoroaluminate(3-) | AlF6(3-) | CHE...)
Show SMILES F[Al-3](F)(F)(F)(F)F
Show InChI InChI=1S/Al.6FH/h;6*1H/q+3;;;;;;/p-6
PDB
MMDB

NCI pathway
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PubMed
5.24E+7n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human isozyme carbonic anhydrase I for the CO2 hydration reaction at 20 degree C


Bioorg Med Chem Lett 15: 1909-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.082
BindingDB Entry DOI: 10.7270/Q2CR5SWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50164079
PNG
((OC-6-11)-hexafluoroaluminate(3-) | AlF6(3-) | CHE...)
Show SMILES F[Al-3](F)(F)(F)(F)F
Show InChI InChI=1S/Al.6FH/h;6*1H/q+3;;;;;;/p-6
PDB
MMDB

Reactome pathway
KEGG

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PC sid
UniChem
Article
PubMed
1.24E+8n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human isozymes carbonic anhydrase IV for the CO2 hydration reaction at 20 degree C


Bioorg Med Chem Lett 15: 1909-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.082
BindingDB Entry DOI: 10.7270/Q2CR5SWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50164079
PNG
((OC-6-11)-hexafluoroaluminate(3-) | AlF6(3-) | CHE...)
Show SMILES F[Al-3](F)(F)(F)(F)F
Show InChI InChI=1S/Al.6FH/h;6*1H/q+3;;;;;;/p-6
PDB
MMDB

Reactome pathway
KEGG

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UniChem
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PubMed
>3.00E+8n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human isozymes carbonic anhydrase II for the CO2 hydration reaction at 20 C


Bioorg Med Chem Lett 15: 1909-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.082
BindingDB Entry DOI: 10.7270/Q2CR5SWP
More data for this
Ligand-Target Pair