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BDBM50206222 6-phenyl-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline::CHEMBL240250

SMILES: C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1

InChI Key: InChIKey=GLQKOPFSKTXMBM-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50206222   
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 H3 receptor


(Homo sapiens (Human))
BDBM50206222
PNG
(6-phenyl-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,1...)
Show SMILES C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1 |w:7.18,13.12|
Show InChI InChI=1S/C26H34N2O/c1-3-9-21(10-4-1)25-20-28-17-7-11-26(28)24-19-22(12-13-23(24)25)29-18-8-16-27-14-5-2-6-15-27/h1,3-4,9-10,12-13,19,25-26H,2,5-8,11,14-18,20H2
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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50206222
PNG
(6-phenyl-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,1...)
Show SMILES C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1 |w:7.18,13.12|
Show InChI InChI=1S/C26H34N2O/c1-3-9-21(10-4-1)25-20-28-17-7-11-26(28)24-19-22(12-13-23(24)25)29-18-8-16-27-14-5-2-6-15-27/h1,3-4,9-10,12-13,19,25-26H,2,5-8,11,14-18,20H2
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PC sid
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain SERT


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50206222
PNG
(6-phenyl-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,1...)
Show SMILES C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1 |w:7.18,13.12|
Show InChI InChI=1S/C26H34N2O/c1-3-9-21(10-4-1)25-20-28-17-7-11-26(28)24-19-22(12-13-23(24)25)29-18-8-16-27-14-5-2-6-15-27/h1,3-4,9-10,12-13,19,25-26H,2,5-8,11,14-18,20H2
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of N-[3H]-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair