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BDBM50357950 CHEMBL1916930

SMILES: Nc1c2CCCCc2nc2n(c(cc12)-c1ccc(Cl)cc1)-c1ccccc1

InChI Key: InChIKey=IXVKGSLDYZAHMJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50357950   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50357950
PNG
(CHEMBL1916930)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20ClN3/c24-16-12-10-15(11-13-16)21-14-19-22(25)18-8-4-5-9-20(18)26-23(19)27(21)17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9H2,(H2,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method in ...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357950
PNG
(CHEMBL1916930)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20ClN3/c24-16-12-10-15(11-13-16)21-14-19-22(25)18-8-4-5-9-20(18)26-23(19)27(21)17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9H2,(H2,25,26)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair