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BDBM36130 CHEMBL181124::sodium hexafluorophosphate

SMILES: F[P-](F)(F)(F)(F)F

InChI Key: InChIKey=LJQLCJWAZJINEB-UHFFFAOYSA-N

Data: 6 KI  2 ITC

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 = 36130   
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


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM36130
PNG
(CHEMBL181124 | sodium hexafluorophosphate)
Show SMILES F[P-](F)(F)(F)(F)F
Show InChI InChI=1S/F6P/c1-7(2,3,4,5)6/q-1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
9.20E+5n/an/an/an/an/an/a8.3n/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for...


Bioorg Med Chem 23: 4831-8 (2015)


BindingDB Entry DOI: 10.7270/Q20V8FK8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM36130
PNG
(CHEMBL181124 | sodium hexafluorophosphate)
Show SMILES F[P-](F)(F)(F)(F)F
Show InChI InChI=1S/F6P/c1-7(2,3,4,5)6/q-1
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
8.10E+6n/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 1


(Homo sapiens (Human))
BDBM36130
PNG
(CHEMBL181124 | sodium hexafluorophosphate)
Show SMILES F[P-](F)(F)(F)(F)F
Show InChI InChI=1S/F6P/c1-7(2,3,4,5)6/q-1
PDB
MMDB

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KEGG

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CHEMBL
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PC sid
UniChem

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Article
PubMed
1.10E+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 2


(Homo sapiens (Human))
BDBM36130
PNG
(CHEMBL181124 | sodium hexafluorophosphate)
Show SMILES F[P-](F)(F)(F)(F)F
Show InChI InChI=1S/F6P/c1-7(2,3,4,5)6/q-1
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UniChem

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Article
PubMed
1.75E+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 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
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM36130
PNG
(CHEMBL181124 | sodium hexafluorophosphate)
Show SMILES F[P-](F)(F)(F)(F)F
Show InChI InChI=1S/F6P/c1-7(2,3,4,5)6/q-1
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UniChem

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Article
PubMed
1.91E+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 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 VA


(Homo sapiens (Human))
BDBM36130
PNG
(CHEMBL181124 | sodium hexafluorophosphate)
Show SMILES F[P-](F)(F)(F)(F)F
Show InChI InChI=1S/F6P/c1-7(2,3,4,5)6/q-1
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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 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 36130
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36127
JPEG
BDBM36130
JPEG
CHEBI
PC cid
PC sid
PC cid
PC sid
-2.952.05-4.992.166.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM11
JPEG
BDBM36130
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.742.77-5.522.016.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)