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BDBM50080640 2-Methylamino-N-[4-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide::CHEMBL122786

SMILES: CNCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=FYYOGLGDZCDBDF-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 = 50080640   
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))
BDBM50080640
PNG
(2-Methylamino-N-[4-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES CNCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N6O5S3/c1-13-6-9(18)14-7-2-4-8(5-3-7)25(21,22)17-10-15-16-11(23-10)24(12,19)20/h2-5,13H,6H2,1H3,(H,14,18)(H,15,17)(H2,12,19,20)
PDB
MMDB

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PC sid
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Article
PubMed
1.5n/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
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080640
PNG
(2-Methylamino-N-[4-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES CNCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N6O5S3/c1-13-6-9(18)14-7-2-4-8(5-3-7)25(21,22)17-10-15-16-11(23-10)24(12,19)20/h2-5,13H,6H2,1H3,(H,14,18)(H,15,17)(H2,12,19,20)
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Article
PubMed
6n/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
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50080640
PNG
(2-Methylamino-N-[4-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES CNCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N6O5S3/c1-13-6-9(18)14-7-2-4-8(5-3-7)25(21,22)17-10-15-16-11(23-10)24(12,19)20/h2-5,13H,6H2,1H3,(H,14,18)(H,15,17)(H2,12,19,20)
PDB
MMDB

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

Similars

Article
PubMed
12n/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
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair