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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50146867'   
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


(Homo sapiens (Human))
BDBM50146867
PNG
(9-[5-(8-Methyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]dio...)
Show SMILES Cc1cccc2COP(=O)(OCC3OC(C=C3)n3cnc4c(N)ncnc34)Oc12 |c:15|
Show InChI InChI=1S/C18H18N5O5P/c1-11-3-2-4-12-7-25-29(24,28-16(11)12)26-8-13-5-6-14(27-13)23-10-22-15-17(19)20-9-21-18(15)23/h2-6,9-10,13-14H,7-8H2,1H3,(H2,19,20,21)
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards human butyrylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))
BDBM50146867
PNG
(9-[5-(8-Methyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]dio...)
Show SMILES Cc1cccc2COP(=O)(OCC3OC(C=C3)n3cnc4c(N)ncnc34)Oc12 |c:15|
Show InChI InChI=1S/C18H18N5O5P/c1-11-3-2-4-12-7-25-29(24,28-16(11)12)26-8-13-5-6-14(27-13)23-10-22-15-17(19)20-9-21-18(15)23/h2-6,9-10,13-14H,7-8H2,1H3,(H2,19,20,21)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards mouse butyrylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair