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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50396008'   
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))
BDBM50396008
PNG
(CHEMBL1512936)
Show SMILES C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@]4(O)[C@@H]5CC(=O)[C@H]6CC(=O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1
Show InChI InChI=1S/C27H41NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-16,18-24,31H,4-14H2,1-3H3/t15-,16-,18-,19-,20+,21+,22-,23-,24+,26-,27+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 20: 6669-79 (2012)


Article DOI: 10.1016/j.bmc.2012.09.040
BindingDB Entry DOI: 10.7270/Q2ZG6TBT
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50396008
PNG
(CHEMBL1512936)
Show SMILES C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@]4(O)[C@@H]5CC(=O)[C@H]6CC(=O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1
Show InChI InChI=1S/C27H41NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-16,18-24,31H,4-14H2,1-3H3/t15-,16-,18-,19-,20+,21+,22-,23-,24+,26-,27+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.68E+3n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of horse BChE by Ellman's method


Bioorg Med Chem 20: 6669-79 (2012)


Article DOI: 10.1016/j.bmc.2012.09.040
BindingDB Entry DOI: 10.7270/Q2ZG6TBT
More data for this
Ligand-Target Pair