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BDBM50234777 CHEMBL4080318

SMILES: Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3Br)c12

InChI Key: InChIKey=YSWHSIGBEGDENC-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234777   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50234777
PNG
(CHEMBL4080318)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3Br)c12
Show InChI InChI=1S/C25H20BrN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...

Eur J Med Chem 126: 576-589 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234777
PNG
(CHEMBL4080318)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3Br)c12
Show InChI InChI=1S/C25H20BrN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair