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BDBM50256567 CHEMBL482149::N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]sulfamide

SMILES: NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1

InChI Key: InChIKey=VSZGEYZPVJRSPX-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 = 50256567   
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))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
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PubMed
820n/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 VA


(Homo sapiens (Human))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
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Article
PubMed
4.20E+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 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
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
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4.50E+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))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
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5.85E+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))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
PDB
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Reactome pathway
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PubMed
1.01E+4n/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