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BDBM50256511 CHEMBL475775::N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfamide

SMILES: CC(C)(C)c1nnc(NS(N)(=O)=O)s1

InChI Key: InChIKey=JJBJNTIFYMQMKH-UHFFFAOYSA-N

Data: 5 KI

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 = 50256511   
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 2


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
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MMDB

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Article
PubMed
900n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
BindingDB Entry DOI: 10.7270/Q26T0NK7
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
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PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
BindingDB Entry DOI: 10.7270/Q26T0NK7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
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5.54E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
BindingDB Entry DOI: 10.7270/Q26T0NK7
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
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8.40E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
BindingDB Entry DOI: 10.7270/Q26T0NK7
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
Reactome pathway
KEGG

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Article
PubMed
1.04E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
BindingDB Entry DOI: 10.7270/Q26T0NK7
More data for this
Ligand-Target Pair