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BDBM50101340 4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamide::CHEMBL48292

SMILES: NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)S(N)(=O)=O)s1

InChI Key: InChIKey=OFANLVRXZQQUMO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50101340   
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))
BDBM50101340
PNG
(4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H9N5O5S3/c10-21(16,17)6-3-1-5(2-4-6)7(15)12-8-13-14-9(20-8)22(11,18)19/h1-4H,(H2,10,16,17)(H2,11,18,19)(H,12,13,15)
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

PubMed
3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101340
PNG
(4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H9N5O5S3/c10-21(16,17)6-3-1-5(2-4-6)7(15)12-8-13-14-9(20-8)22(11,18)19/h1-4H,(H2,10,16,17)(H2,11,18,19)(H,12,13,15)
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PC sid
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PubMed
15n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50101340
PNG
(4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H9N5O5S3/c10-21(16,17)6-3-1-5(2-4-6)7(15)12-8-13-14-9(20-8)22(11,18)19/h1-4H,(H2,10,16,17)(H2,11,18,19)(H,12,13,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
35n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair