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BDBM50361664 CHEMBL1940614

SMILES: CCN(CCCCCC=Nc1cc(O)c(C)c(C)c1O)Cc1ccccc1OC

InChI Key: InChIKey=DBARNRWIJHSBDH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361664   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterases


(Homo sapiens (Human))
BDBM50361664
PNG
(CHEMBL1940614)
Show SMILES CCN(CCCCCC=Nc1cc(O)c(C)c(C)c1O)Cc1ccccc1OC
Show InChI InChI=1S/C24H34N2O3/c1-5-26(17-20-12-8-9-13-23(20)29-4)15-11-7-6-10-14-25-21-16-22(27)18(2)19(3)24(21)28/h8-9,12-14,16,27-28H,5-7,10-11,15,17H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 314n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide as substrate after 20 mins preincubation by Ellman method


J Med Chem 54: 8299-304 (2011)


Article DOI: 10.1021/jm200691d
BindingDB Entry DOI: 10.7270/Q2V40VNM
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50361664
PNG
(CHEMBL1940614)
Show SMILES CCN(CCCCCC=Nc1cc(O)c(C)c(C)c1O)Cc1ccccc1OC
Show InChI InChI=1S/C24H34N2O3/c1-5-26(17-20-12-8-9-13-23(20)29-4)15-11-7-6-10-14-25-21-16-22(27)18(2)19(3)24(21)28/h8-9,12-14,16,27-28H,5-7,10-11,15,17H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate after 20 mins preincubation by Ellman method


J Med Chem 54: 8299-304 (2011)


Article DOI: 10.1021/jm200691d
BindingDB Entry DOI: 10.7270/Q2V40VNM
More data for this
Ligand-Target Pair