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SMILES: Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)S(N)(=O)=O

InChI Key: InChIKey=AQLSMJNYPXRRTF-YFJSJAFKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50094410   
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))
BDBM50094410
PNG
(5-[4-(Heptadecafluorooctane-1-sulfonylamino)-benze...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H10F17N5O6S4/c1-39-8(46-9(36-39)47(35,40)41)38-48(42,43)7-4-2-6(3-5-7)37-49(44,45)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h2-5,37H,1H3,(H2,35,40,41)/b38-8+
PDB
MMDB

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PubMed
3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase II (CA2)


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50094410
PNG
(5-[4-(Heptadecafluorooctane-1-sulfonylamino)-benze...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H10F17N5O6S4/c1-39-8(46-9(36-39)47(35,40)41)38-48(42,43)7-4-2-6(3-5-7)37-49(44,45)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h2-5,37H,1H3,(H2,35,40,41)/b38-8+
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PubMed
25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CA4) from bovine lung microsomes


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50094410
PNG
(5-[4-(Heptadecafluorooctane-1-sulfonylamino)-benze...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H10F17N5O6S4/c1-39-8(46-9(36-39)47(35,40)41)38-48(42,43)7-4-2-6(3-5-7)37-49(44,45)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h2-5,37H,1H3,(H2,35,40,41)/b38-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase I (CA1)


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair