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BDBM50108567 5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-sulfonic acid amide::Benzolamide, BZM::CHEMBL108982

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1

InChI Key: InChIKey=CYPRFFCTABNEJY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50108567   
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))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
PDB
MMDB

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5n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on human Carbonic anhydrase II


J Med Chem 45: 312-20 (2002)


BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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6n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on bovine Carbonic anhydrase IV


J Med Chem 45: 312-20 (2002)


BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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Article
PubMed
7n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
PDB
MMDB

NCI pathway
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7n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on human carbonic anhydrase I


J Med Chem 45: 312-20 (2002)


BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
PDB
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Article
PubMed
8.80n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
9n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair