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BDBM50005777 (+/-)-Hexyl-carbamic acid 1,3a-dimethyl-1,2,3,3a,8,8a-hexahydro-1-aza-cyclopenta[a]inden-5-yl ester::CHEMBL284938

SMILES: CCCCCCNC(=O)Oc1ccc2CC3N(C)CC[C@@]3(C)c2c1

InChI Key: InChIKey=ZLFLUZOZKIPTJJ-IJHRGXPZSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005777   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005777
PNG
((+/-)-Hexyl-carbamic acid 1,3a-dimethyl-1,2,3,3a,8...)
Show SMILES CCCCCCNC(=O)Oc1ccc2CC3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C20H30N2O2/c1-4-5-6-7-11-21-19(23)24-16-9-8-15-13-18-20(2,17(15)14-16)10-12-22(18)3/h8-9,14,18H,4-7,10-13H2,1-3H3,(H,21,23)/t18?,20-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 77n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human AchE (Acetylcholinesterase)


J Med Chem 35: 1429-34 (1992)


BindingDB Entry DOI: 10.7270/Q2RN38GQ
More data for this
Ligand-Target Pair