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BDBM50079037 6-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-pyridine-2-carboxylic acid::CHEMBL85079

SMILES: NS(=O)(=O)c1nnc(NC(=O)c2cccc(n2)C(O)=O)s1

InChI Key: InChIKey=AQULIWLSIITFDZ-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 = 50079037   
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))
BDBM50079037
PNG
(6-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-py...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2cccc(n2)C(O)=O)s1
Show InChI InChI=1S/C9H7N5O5S2/c10-21(18,19)9-14-13-8(20-9)12-6(15)4-2-1-3-5(11-4)7(16)17/h1-3H,(H,16,17)(H2,10,18,19)(H,12,13,15)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50079037
PNG
(6-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-py...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2cccc(n2)C(O)=O)s1
Show InChI InChI=1S/C9H7N5O5S2/c10-21(18,19)9-14-13-8(20-9)12-6(15)4-2-1-3-5(11-4)7(16)17/h1-3H,(H,16,17)(H2,10,18,19)(H,12,13,15)
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PC sid
UniChem

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Article
PubMed
21n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079037
PNG
(6-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-py...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2cccc(n2)C(O)=O)s1
Show InChI InChI=1S/C9H7N5O5S2/c10-21(18,19)9-14-13-8(20-9)12-6(15)4-2-1-3-5(11-4)7(16)17/h1-3H,(H,16,17)(H2,10,18,19)(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

Article
PubMed
36n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair