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BDBM10881 CHEMBL288100::METHAZOLAMIDE::MZA3::Methazolamide::Methazolamide (MZA)::Methazolamide, MZA::N-[(2Z)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]acetamide::Sulfonamide, 2::cid_4100::sulfonamide 2

SMILES: CC(=O)N=c1sc(nn1C)S(N)(=O)=O

InChI Key: InChIKey=FLOSMHQXBMRNHR-UHFFFAOYSA-N

Data: 290 KI  11 IC50  2 EC50

PDB links: 6 PDB IDs match this monomer.

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 302 hits for monomerid = 10881   
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))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
PDB
MMDB

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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibition of human Carbonic Anhydrase II


J Med Chem 32: 2486-92 (1989)


Article DOI: 10.1021/jm00131a011
BindingDB Entry DOI: 10.7270/Q27P90KQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


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



Bruker-AXS s.r.l.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against bovine carbonic anhydrase IV


Bioorg Med Chem Lett 14: 337-41 (2003)


Article DOI: 10.1016/j.bmcl.2003.11.014
BindingDB Entry DOI: 10.7270/Q2W66MBZ
More data for this
Ligand-Target Pair
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