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BDBM50279804 CHEMBL359198::Hexyl-carbamic acid (3aR,8aS)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-5-yl ester

SMILES: CCCCCCNC(=O)Oc1ccc2C[C@@H]3N(CC)CC[C@]3(C)c2c1

InChI Key: InChIKey=UBWZQILFMCCHFE-PZJWPPBQSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50279804   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50279804
PNG
(CHEMBL359198 | Hexyl-carbamic acid (3aR,8aS)-1-eth...)
Show SMILES CCCCCCNC(=O)Oc1ccc2C[C@@H]3N(CC)CC[C@]3(C)c2c1
Show InChI InChI=1S/C21H32N2O2/c1-4-6-7-8-12-22-20(24)25-17-10-9-16-14-19-21(3,18(16)15-17)11-13-23(19)5-2/h9-10,15,19H,4-8,11-14H2,1-3H3,(H,22,24)/t19-,21+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 233n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit acetylcholinesterase isolated from human erythrocytes


Bioorg Med Chem Lett 1: 47-50 (1991)


Article DOI: 10.1016/S0960-894X(01)81088-X
BindingDB Entry DOI: 10.7270/Q25X28VR
More data for this
Ligand-Target Pair