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

InChI Key: InChIKey=VDTTVUDVHKAPMC-UHFFFAOYSA-N

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 = 50106428   
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))
BDBM50106428
PNG
(CHEMBL3600974)
Show SMILES Clc1ccc(cc1)-c1ccc(CCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H29ClN2O/c28-25-13-11-24(12-14-25)23-9-4-21(5-10-23)8-17-27(31)29-26-15-6-22(7-16-26)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 138n/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))
BDBM50106428
PNG
(CHEMBL3600974)
Show SMILES Clc1ccc(cc1)-c1ccc(CCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H29ClN2O/c28-25-13-11-24(12-14-25)23-9-4-21(5-10-23)8-17-27(31)29-26-15-6-22(7-16-26)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31)
Reactome pathway
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/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))
BDBM50106428
PNG
(CHEMBL3600974)
Show SMILES Clc1ccc(cc1)-c1ccc(CCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H29ClN2O/c28-25-13-11-24(12-14-25)23-9-4-21(5-10-23)8-17-27(31)29-26-15-6-22(7-16-26)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 89n/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