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SMILES: CC(=O)N1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2)CC1

InChI Key: InChIKey=ZGQSHOMCFXQQCY-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50107734   
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))
BDBM50107734
PNG
(CHEMBL3600814)
Show SMILES CC(=O)N1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C28H30ClN3O2/c1-21(33)32-18-16-31(17-19-32)20-23-4-2-22(3-5-23)14-15-30-28(34)26-8-6-24(7-9-26)25-10-12-27(29)13-11-25/h2-13H,14-20H2,1H3,(H,30,34)
PDB
MMDB

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PubMed
n/an/a 2.33E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 25: 3264-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50107734
PNG
(CHEMBL3600814)
Show SMILES CC(=O)N1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C28H30ClN3O2/c1-21(33)32-18-16-31(17-19-32)20-23-4-2-22(3-5-23)14-15-30-28(34)26-8-6-24(7-9-26)25-10-12-27(29)13-11-25/h2-13H,14-20H2,1H3,(H,30,34)
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PubMed
n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Bioorg Med Chem Lett 25: 3264-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50107734
PNG
(CHEMBL3600814)
Show SMILES CC(=O)N1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C28H30ClN3O2/c1-21(33)32-18-16-31(17-19-32)20-23-4-2-22(3-5-23)14-15-30-28(34)26-8-6-24(7-9-26)25-10-12-27(29)13-11-25/h2-13H,14-20H2,1H3,(H,30,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 877n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 3264-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair