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SMILES: NN(NC(=S)NCCc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F

InChI Key: InChIKey=UVBRNWRRLAZDRZ-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 = 50171025   
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))
BDBM50171025
PNG
(CHEMBL182197 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NN(NC(=S)NCCc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H14F5N5O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)25(21)24-15(28)23-6-5-7-1-3-8(4-2-7)29(22,26)27/h1-4H,5-6,21H2,(H2,22,26,27)(H2,23,24,28)
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Article
PubMed
2.30n/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))
BDBM50171025
PNG
(CHEMBL182197 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NN(NC(=S)NCCc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H14F5N5O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)25(21)24-15(28)23-6-5-7-1-3-8(4-2-7)29(22,26)27/h1-4H,5-6,21H2,(H2,22,26,27)(H2,23,24,28)
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Article
PubMed
10n/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))
BDBM50171025
PNG
(CHEMBL182197 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NN(NC(=S)NCCc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H14F5N5O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)25(21)24-15(28)23-6-5-7-1-3-8(4-2-7)29(22,26)27/h1-4H,5-6,21H2,(H2,22,26,27)(H2,23,24,28)
PDB
MMDB

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Article
PubMed
61n/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