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SMILES: Clc1ccc(cc1)-c1ccc(CNC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1

InChI Key: InChIKey=PNEQLTWPDVHRRF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50106425   
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 2A


(Homo sapiens (Human))
BDBM50106425
PNG
(CHEMBL3600977)
Show SMILES Clc1ccc(cc1)-c1ccc(CNC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C26H28ClN3O/c27-24-12-10-23(11-13-24)22-8-4-20(5-9-22)18-28-26(31)29-25-14-6-21(7-15-25)19-30-16-2-1-3-17-30/h4-15H,1-3,16-19H2,(H2,28,29,31)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50106425
PNG
(CHEMBL3600977)
Show SMILES Clc1ccc(cc1)-c1ccc(CNC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C26H28ClN3O/c27-24-12-10-23(11-13-24)22-8-4-20(5-9-22)18-28-26(31)29-25-14-6-21(7-15-25)19-30-16-2-1-3-17-30/h4-15H,1-3,16-19H2,(H2,28,29,31)
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Article
PubMed
n/an/a 899n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50106425
PNG
(CHEMBL3600977)
Show SMILES Clc1ccc(cc1)-c1ccc(CNC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C26H28ClN3O/c27-24-12-10-23(11-13-24)22-8-4-20(5-9-22)18-28-26(31)29-25-14-6-21(7-15-25)19-30-16-2-1-3-17-30/h4-15H,1-3,16-19H2,(H2,28,29,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 511n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair