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SMILES: FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F

InChI Key: InChIKey=OOCHSWKGVKRYIA-UHFFFAOYSA-N

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 13 hits for monomerid = 50323746   
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 5B, mitochondrial


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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5.40E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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6.20E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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9.60E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.04E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.08E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.08E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.12E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.12E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.17E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.22E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.25E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.31E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50323746
PNG
(CHEMBL1214249 | N1,N3-bis(2-(2,2,2-trifluoroacetam...)
Show SMILES FC(F)(F)C(=O)NCCNCCCNCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C11H18F6N4O2/c12-10(13,14)8(22)20-6-4-18-2-1-3-19-5-7-21-9(23)11(15,16)17/h18-19H,1-7H2,(H,20,22)(H,21,23)
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1.56E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
BindingDB Entry DOI: 10.7270/Q22N52FB
More data for this
Ligand-Target Pair