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SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1

InChI Key: InChIKey=OHRYCEHSEHQRKH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50094446   
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))
BDBM50094446
PNG
(5-[4-(Nonafluorobutane-1-sulfonylamino)-benzenesul...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1
Show InChI InChI=1S/C12H8F9N5O6S4/c13-9(14,11(17,18)19)10(15,16)12(20,21)36(31,32)25-5-1-3-6(4-2-5)35(29,30)26-7-23-24-8(33-7)34(22,27)28/h1-4,25H,(H,23,26)(H2,22,27,28)
PDB
MMDB

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PC cid
PC sid
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PubMed
2n/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))
BDBM50094446
PNG
(5-[4-(Nonafluorobutane-1-sulfonylamino)-benzenesul...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1
Show InChI InChI=1S/C12H8F9N5O6S4/c13-9(14,11(17,18)19)10(15,16)12(20,21)36(31,32)25-5-1-3-6(4-2-5)35(29,30)26-7-23-24-8(33-7)34(22,27)28/h1-4,25H,(H,23,26)(H2,22,27,28)
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PubMed
17n/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))
BDBM50094446
PNG
(5-[4-(Nonafluorobutane-1-sulfonylamino)-benzenesul...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)s1
Show InChI InChI=1S/C12H8F9N5O6S4/c13-9(14,11(17,18)19)10(15,16)12(20,21)36(31,32)25-5-1-3-6(4-2-5)35(29,30)26-7-23-24-8(33-7)34(22,27)28/h1-4,25H,(H,23,26)(H2,22,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
900n/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