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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50500752   
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
Liver carboxylesterase


(Sus scrofa)
BDBM50500752
PNG
(CHEMBL3754327)
Show SMILES Br.CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1 |t:18|
Show InChI InChI=1S/C22H27BrN2S.BrH/c1-22(2,3)19-11-9-18(10-12-19)16-25(15-17-7-5-4-6-8-17)21-24-14-20(13-23)26-21;/h4-12,20H,13-16H2,1-3H3;1H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 1050-62 (2016)


Article DOI: 10.1016/j.bmc.2016.01.031
BindingDB Entry DOI: 10.7270/Q2B85C4Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50500752
PNG
(CHEMBL3754327)
Show SMILES Br.CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1 |t:18|
Show InChI InChI=1S/C22H27BrN2S.BrH/c1-22(2,3)19-11-9-18(10-12-19)16-25(15-17-7-5-4-6-8-17)21-24-14-20(13-23)26-21;/h4-12,20H,13-16H2,1-3H3;1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's meth...


Bioorg Med Chem 24: 1050-62 (2016)


Article DOI: 10.1016/j.bmc.2016.01.031
BindingDB Entry DOI: 10.7270/Q2B85C4Q
More data for this
Ligand-Target Pair