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SMILES: CN(CS(O)(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O

InChI Key: InChIKey=LVWZTYCIRDMTEY-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 235671   
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))
BDBM235671
PNG
(Metamizol sodium)
Show SMILES CN(CS(O)(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)
PDB
MMDB

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.56E+5n/an/an/an/a10.0n/a



Balikesir University



Assay Description
CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 h...


J Enzyme Inhib Med Chem 27: 37-42 (2012)


Article DOI: 10.3109/14756366.2011.574130
BindingDB Entry DOI: 10.7270/Q2N878P6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM235671
PNG
(Metamizol sodium)
Show SMILES CN(CS(O)(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.95E+5n/an/an/an/a10.0n/a



Balikesir University



Assay Description
CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 h...


J Enzyme Inhib Med Chem 27: 37-42 (2012)


Article DOI: 10.3109/14756366.2011.574130
BindingDB Entry DOI: 10.7270/Q2N878P6
More data for this
Ligand-Target Pair