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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterases' and Ligand = 'BDBM50322767'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50322767
PNG
(2-Methyl-7-{[8-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES Cc1ccc2ccc(CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(O)c2n1
Show InChI InChI=1S/C32H40N4O/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50322767
PNG
(2-Methyl-7-{[8-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES Cc1ccc2ccc(CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(O)c2n1
Show InChI InChI=1S/C32H40N4O/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36)
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair