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SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[Se][Se]c1ccccc1NS(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=JMHGQKYPTKBXCO-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 5 hits for monomerid = 50248515   
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 7


(Homo sapiens (Human))
BDBM50248515
PNG
(CHEMBL4082845)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[Se][Se]c1ccccc1NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H24N2O4S2Se2/c1-19-11-15-21(16-12-19)33(29,30)27-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
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PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 7 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50248515
PNG
(CHEMBL4082845)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[Se][Se]c1ccccc1NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H24N2O4S2Se2/c1-19-11-15-21(16-12-19)33(29,30)27-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
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PubMed
6.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50248515
PNG
(CHEMBL4082845)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[Se][Se]c1ccccc1NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H24N2O4S2Se2/c1-19-11-15-21(16-12-19)33(29,30)27-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
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PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red ...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50248515
PNG
(CHEMBL4082845)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[Se][Se]c1ccccc1NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H24N2O4S2Se2/c1-19-11-15-21(16-12-19)33(29,30)27-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
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PubMed
6.16E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50248515
PNG
(CHEMBL4082845)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[Se][Se]c1ccccc1NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H24N2O4S2Se2/c1-19-11-15-21(16-12-19)33(29,30)27-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
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Article
PubMed
6.36E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair