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BDBM50110300 CHEMBL15056::N-(4-(3-(piperidin-1-yl)propoxy)phenethyl)-5,6,7,8-tetrahydroacridin-9-amine::{2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-ethyl}-(1,2,3,4-tetrahydro-acridin-9-yl)-amine; Oxalic acid

SMILES: C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1

InChI Key: InChIKey=IBPWGZKZWJYGLA-UHFFFAOYSA-N

Data: 2 KI  2 IC50  3 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50110300   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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0.330n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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0.330n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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n/an/an/a 10n/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Activity at Histamine H3 receptor using functional H3 receptor assay on guinea pig ileum


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Activity at Histamine H1 receptor using functional H1 receptor assay on guinea pig ileum


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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n/an/an/a 3.16E+4n/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Activity at Histamine H2 receptor using functional H2 receptor assay on guinea pig atrium


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine N-methyltransferase


(Rattus norvegicus)
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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n/an/a 48n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined by the formation of N-methylhistamine


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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n/an/a 2.60n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair