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BDBM50080684 5-(4-aminophenylsulfonylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide::5-[(Z)-4-Amino-benzenesulfonylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL331083

SMILES: Cn1nc(s\c1=N/S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O

InChI Key: InChIKey=BKCXBMXTXLGZCV-JYRVWZFOSA-N

Data: 4 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 4 hits for monomerid = 50080684   
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))
BDBM50080684
PNG
(5-(4-aminophenylsulfonylimino)-4-methyl-4,5-dihydr...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8-
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080684
PNG
(5-(4-aminophenylsulfonylimino)-4-methyl-4,5-dihydr...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8-
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PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50080684
PNG
(5-(4-aminophenylsulfonylimino)-4-methyl-4,5-dihydr...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8-
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50080684
PNG
(5-(4-aminophenylsulfonylimino)-4-methyl-4,5-dihydr...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.67E+8n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
More data for this
Ligand-Target Pair