BindingDB logo
myBDB logout

null

SMILES: CN(C(=O)\C=C\c1ccc(cc1)-c1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1

InChI Key: InChIKey=BEWRGASHJMEIJG-GIJQJNRQSA-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 = 50106426   
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))
BDBM50106426
PNG
(CHEMBL3600976)
Show SMILES CN(C(=O)\C=C\c1ccc(cc1)-c1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C28H29ClN2O/c1-30(27-16-7-23(8-17-27)21-31-19-3-2-4-20-31)28(32)18-9-22-5-10-24(11-6-22)25-12-14-26(29)15-13-25/h5-18H,2-4,19-21H2,1H3/b18-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 362n/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)


BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50106426
PNG
(CHEMBL3600976)
Show SMILES CN(C(=O)\C=C\c1ccc(cc1)-c1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C28H29ClN2O/c1-30(27-16-7-23(8-17-27)21-31-19-3-2-4-20-31)28(32)18-9-22-5-10-24(11-6-22)25-12-14-26(29)15-13-25/h5-18H,2-4,19-21H2,1H3/b18-9+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 634n/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)


BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50106426
PNG
(CHEMBL3600976)
Show SMILES CN(C(=O)\C=C\c1ccc(cc1)-c1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C28H29ClN2O/c1-30(27-16-7-23(8-17-27)21-31-19-3-2-4-20-31)28(32)18-9-22-5-10-24(11-6-22)25-12-14-26(29)15-13-25/h5-18H,2-4,19-21H2,1H3/b18-9+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 625n/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)


BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair