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SMILES: NS(=O)(=O)c1nc2ccc(NC(=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)cc2s1

InChI Key: InChIKey=UONOEOTYMVCADB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50094320   
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))
BDBM50094320
PNG
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=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)cc2s1
Show InChI InChI=1S/C16H6F17N3O3S2/c17-9(18,7(37)35-4-1-2-5-6(3-4)40-8(36-5)41(34,38)39)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-3H,(H,35,37)(H2,34,38,39)
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MMDB

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PubMed
1n/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))
BDBM50094320
PNG
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=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)cc2s1
Show InChI InChI=1S/C16H6F17N3O3S2/c17-9(18,7(37)35-4-1-2-5-6(3-4)40-8(36-5)41(34,38)39)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-3H,(H,35,37)(H2,34,38,39)
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PubMed
9n/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))
BDBM50094320
PNG
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=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)cc2s1
Show InChI InChI=1S/C16H6F17N3O3S2/c17-9(18,7(37)35-4-1-2-5-6(3-4)40-8(36-5)41(34,38)39)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-3H,(H,35,37)(H2,34,38,39)
PDB
MMDB

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UniProtKB/SwissProt

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

Similars

PubMed
45n/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