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BDBM50060482 1,15,15-trimethyl-3-azatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaen-10-amine::9-Amino-1,4-methano-1,2,3,4-tetrahydro-4,11,11-trimethylacridine::CHEMBL331637

SMILES: CC1(C)C2CCC1(C)c1nc3ccccc3c(N)c21

InChI Key: InChIKey=KPUIFTXPWPFNOS-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50060482   
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


(Rattus norvegicus (rat))
BDBM50060482
PNG
(1,15,15-trimethyl-3-azatetracyclo[10.2.1.0^{2,11}....)
Show SMILES CC1(C)C2CCC1(C)c1nc3ccccc3c(N)c21
Show InChI InChI=1S/C17H20N2/c1-16(2)11-8-9-17(16,3)15-13(11)14(18)10-6-4-5-7-12(10)19-15/h4-7,11H,8-9H2,1-3H3,(H2,18,19)
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50060482
PNG
(1,15,15-trimethyl-3-azatetracyclo[10.2.1.0^{2,11}....)
Show SMILES CC1(C)C2CCC1(C)c1nc3ccccc3c(N)c21
Show InChI InChI=1S/C17H20N2/c1-16(2)11-8-9-17(16,3)15-13(11)14(18)10-6-4-5-7-12(10)19-15/h4-7,11H,8-9H2,1-3H3,(H2,18,19)
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NCI pathway
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Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50060482
PNG
(1,15,15-trimethyl-3-azatetracyclo[10.2.1.0^{2,11}....)
Show SMILES CC1(C)C2CCC1(C)c1nc3ccccc3c(N)c21
Show InChI InChI=1S/C17H20N2/c1-16(2)11-8-9-17(16,3)15-13(11)14(18)10-6-4-5-7-12(10)19-15/h4-7,11H,8-9H2,1-3H3,(H2,18,19)
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Article
PubMed
n/an/a 8.80E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50060482
PNG
(1,15,15-trimethyl-3-azatetracyclo[10.2.1.0^{2,11}....)
Show SMILES CC1(C)C2CCC1(C)c1nc3ccccc3c(N)c21
Show InChI InChI=1S/C17H20N2/c1-16(2)11-8-9-17(16,3)15-13(11)14(18)10-6-4-5-7-12(10)19-15/h4-7,11H,8-9H2,1-3H3,(H2,18,19)
PDB

KEGG

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair