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SMILES: NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1

InChI Key: InChIKey=LMOVLKDQQHGBIH-UHFFFAOYSA-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 3 hits for monomerid = 50171024   
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))
BDBM50171024
PNG
(CHEMBL361955 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H13F5N4O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)23-24-15(27)22-6-5-7-1-3-8(4-2-7)28(21,25)26/h1-4,23H,5-6H2,(H2,21,25,26)(H2,22,24,27)
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Article
PubMed
3n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171024
PNG
(CHEMBL361955 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H13F5N4O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)23-24-15(27)22-6-5-7-1-3-8(4-2-7)28(21,25)26/h1-4,23H,5-6H2,(H2,21,25,26)(H2,22,24,27)
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Article
PubMed
18n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171024
PNG
(CHEMBL361955 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H13F5N4O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)23-24-15(27)22-6-5-7-1-3-8(4-2-7)28(21,25)26/h1-4,23H,5-6H2,(H2,21,25,26)(H2,22,24,27)
PDB
MMDB

NCI pathway
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PC sid
UniChem

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Article
PubMed
95n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair