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SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@H](C[Se][Se]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1

InChI Key: InChIKey=DQLMPACNTUYQMO-KYJUHHDHSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50248562   
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))
BDBM50248562
PNG
(CHEMBL4073396)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C[Se][Se]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4S2Se2/c1-25-13-17-31(18-14-25)39(35,36)33-29(21-27-9-5-3-6-10-27)23-41-42-24-30(22-28-11-7-4-8-12-28)34-40(37,38)32-19-15-26(2)16-20-32/h3-20,29-30,33-34H,21-24H2,1-2H3/t29-,30-/m0/s1
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Article
PubMed
7.80E+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 2


(Homo sapiens (Human))
BDBM50248562
PNG
(CHEMBL4073396)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C[Se][Se]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4S2Se2/c1-25-13-17-31(18-14-25)39(35,36)33-29(21-27-9-5-3-6-10-27)23-41-42-24-30(22-28-11-7-4-8-12-28)34-40(37,38)32-19-15-26(2)16-20-32/h3-20,29-30,33-34H,21-24H2,1-2H3/t29-,30-/m0/s1
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Article
PubMed
9.61E+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))
BDBM50248562
PNG
(CHEMBL4073396)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C[Se][Se]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4S2Se2/c1-25-13-17-31(18-14-25)39(35,36)33-29(21-27-9-5-3-6-10-27)23-41-42-24-30(22-28-11-7-4-8-12-28)34-40(37,38)32-19-15-26(2)16-20-32/h3-20,29-30,33-34H,21-24H2,1-2H3/t29-,30-/m0/s1
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PubMed
>1.00E+5n/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
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50248562
PNG
(CHEMBL4073396)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C[Se][Se]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4S2Se2/c1-25-13-17-31(18-14-25)39(35,36)33-29(21-27-9-5-3-6-10-27)23-41-42-24-30(22-28-11-7-4-8-12-28)34-40(37,38)32-19-15-26(2)16-20-32/h3-20,29-30,33-34H,21-24H2,1-2H3/t29-,30-/m0/s1
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Article
PubMed
>1.00E+5n/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))
BDBM50248562
PNG
(CHEMBL4073396)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C[Se][Se]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4S2Se2/c1-25-13-17-31(18-14-25)39(35,36)33-29(21-27-9-5-3-6-10-27)23-41-42-24-30(22-28-11-7-4-8-12-28)34-40(37,38)32-19-15-26(2)16-20-32/h3-20,29-30,33-34H,21-24H2,1-2H3/t29-,30-/m0/s1
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UniChem

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Article
PubMed
>1.00E+5n/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