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SMILES: NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1

InChI Key: InChIKey=KAZYEEVJLLUSRB-ODCIPOBUSA-N

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 4 hits for monomerid = 50029083   
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))
BDBM50029083
PNG
(CHEMBL3343277)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50029083
PNG
(CHEMBL3343277)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
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Article
PubMed
213n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029083
PNG
(CHEMBL3343277)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
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Article
PubMed
652n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029083
PNG
(CHEMBL3343277)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
PDB
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NCI pathway
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Article
PubMed
2.63E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair