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BDBM50066128 CHEMBL3402964

SMILES: NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1

InChI Key: InChIKey=FDNFXQNJWCRLJS-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50066128   
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 12


(Homo sapiens (Human))
BDBM50066128
PNG
(CHEMBL3402964)
Show SMILES NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5NO3S/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-6-1-3-7(4-2-6)23(19,20)21/h1-4H,5H2,(H2,19,20,21)
PDB
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0.75n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066128
PNG
(CHEMBL3402964)
Show SMILES NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5NO3S/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-6-1-3-7(4-2-6)23(19,20)21/h1-4H,5H2,(H2,19,20,21)
PDB
MMDB

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PubMed
0.860n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066128
PNG
(CHEMBL3402964)
Show SMILES NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5NO3S/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-6-1-3-7(4-2-6)23(19,20)21/h1-4H,5H2,(H2,19,20,21)
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50066128
PNG
(CHEMBL3402964)
Show SMILES NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5NO3S/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-6-1-3-7(4-2-6)23(19,20)21/h1-4H,5H2,(H2,19,20,21)
PDB
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26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50066128
PNG
(CHEMBL3402964)
Show SMILES NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5NO3S/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-6-1-3-7(4-2-6)23(19,20)21/h1-4H,5H2,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
231n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-1 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair