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BDBM50004524 CHEMBL3233667

SMILES: Cl.COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1

InChI Key: InChIKey=IVCAEPYRFIZWLG-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 = 50004524   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004524
PNG
(CHEMBL3233667)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1
Show InChI InChI=1S/C27H36N4O3.ClH/c1-27(22-12-6-4-7-13-22)25(32)28(2)26(33)31(27)17-11-5-10-16-29-18-20-30(21-19-29)23-14-8-9-15-24(23)34-3;/h4,6-9,12-15H,5,10-11,16-21H2,1-3H3;1H
PDB

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PC cid
PC sid
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Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation countin...


Eur J Med Chem 78: 324-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.065
BindingDB Entry DOI: 10.7270/Q2J104Q0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50004524
PNG
(CHEMBL3233667)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1
Show InChI InChI=1S/C27H36N4O3.ClH/c1-27(22-12-6-4-7-13-22)25(32)28(2)26(33)31(27)17-11-5-10-16-29-18-20-30(21-19-29)23-14-8-9-15-24(23)34-3;/h4,6-9,12-15H,5,10-11,16-21H2,1-3H3;1H
Reactome pathway
KEGG

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antibodypedia
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PC sid
UniChem

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Article
PubMed
34n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7 receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting anal...


Eur J Med Chem 78: 324-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.065
BindingDB Entry DOI: 10.7270/Q2J104Q0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50004524
PNG
(CHEMBL3233667)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1
Show InChI InChI=1S/C27H36N4O3.ClH/c1-27(22-12-6-4-7-13-22)25(32)28(2)26(33)31(27)17-11-5-10-16-29-18-20-30(21-19-29)23-14-8-9-15-24(23)34-3;/h4,6-9,12-15H,5,10-11,16-21H2,1-3H3;1H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.47E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting analy...


Eur J Med Chem 78: 324-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.065
BindingDB Entry DOI: 10.7270/Q2J104Q0
More data for this
Ligand-Target Pair