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BDBM50093584 CHEMBL3585780

SMILES: COc1ccccc1C(C)NS(N)(=O)=O

InChI Key: InChIKey=QJHWFMNMXCDMAQ-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50093584   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50093584
PNG
(CHEMBL3585780)
Show SMILES COc1ccccc1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
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Article
PubMed
38n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50093584
PNG
(CHEMBL3585780)
Show SMILES COc1ccccc1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
193n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50093584
PNG
(CHEMBL3585780)
Show SMILES COc1ccccc1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
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
275n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50093584
PNG
(CHEMBL3585780)
Show SMILES COc1ccccc1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair