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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50393855   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cholinesterase


(Equus caballus (Horse))		BDBM50393855
PNG
(CHEMBL2158125)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C32H39N5O2S/c1-3-37(21-18-30(38)36-32-35-29(22-40-32)23-14-16-24(39-2)17-15-23)20-9-8-19-33-31-25-10-4-6-12-27(25)34-28-13-7-5-11-26(28)31/h4,6,10,12,14-17,22H,3,5,7-9,11,13,18-21H2,1-2H3,(H,33,34)(H,35,36,38)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.61n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393855
PNG
(CHEMBL2158125)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C32H39N5O2S/c1-3-37(21-18-30(38)36-32-35-29(22-40-32)23-14-16-24(39-2)17-15-23)20-9-8-19-33-31-25-10-4-6-12-27(25)34-28-13-7-5-11-26(28)31/h4,6,10,12,14-17,22H,3,5,7-9,11,13,18-21H2,1-2H3,(H,33,34)(H,35,36,38)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 288n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair