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BDBM50094461 4-{2-[(heptadecafluorooctyl)sulfonyl]hydrazino}benzenesulfonamide::CHEMBL140116

SMILES: NS(=O)(=O)c1ccc(NNS(=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

InChI Key: InChIKey=KOOLNWVITJDJPD-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50094461   
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))
BDBM50094461
PNG
(4-{2-[(heptadecafluorooctyl)sulfonyl]hydrazino}ben...)
Show SMILES NS(=O)(=O)c1ccc(NNS(=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
Show InChI InChI=1S/C14H8F17N3O4S2/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)40(37,38)34-33-5-1-3-6(4-2-5)39(32,35)36/h1-4,33-34H,(H2,32,35,36)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/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)


Article DOI: 10.1021/jm000296j
BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50094461
PNG
(4-{2-[(heptadecafluorooctyl)sulfonyl]hydrazino}ben...)
Show SMILES NS(=O)(=O)c1ccc(NNS(=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
Show InChI InChI=1S/C14H8F17N3O4S2/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)40(37,38)34-33-5-1-3-6(4-2-5)39(32,35)36/h1-4,33-34H,(H2,32,35,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
860n/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)


Article DOI: 10.1021/jm000296j
BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50094461
PNG
(4-{2-[(heptadecafluorooctyl)sulfonyl]hydrazino}ben...)
Show SMILES NS(=O)(=O)c1ccc(NNS(=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
Show InChI InChI=1S/C14H8F17N3O4S2/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)40(37,38)34-33-5-1-3-6(4-2-5)39(32,35)36/h1-4,33-34H,(H2,32,35,36)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Tested for inhibition of human (cloned) isoenzyme carbonic anhydrase 1.


J Med Chem 43: 4542-51 (2000)


Article DOI: 10.1021/jm000296j
BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair