BindingDB logo
myBDB logout

null

SMILES: O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)C1

InChI Key: InChIKey=KURYMMXNUSXWIX-HSZRJFAPSA-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 = 50106582   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50106582
PNG
(CHEMBL3601039)
Show SMILES O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)C1 |r|
Show InChI InChI=1S/C25H28ClN3O2/c26-21-9-7-20(8-10-21)25-14-11-22(27-28-25)3-2-16-31-24-12-5-19(6-13-24)17-29-15-1-4-23(30)18-29/h5-14,23,30H,1-4,15-18H2/t23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 15n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50106582
PNG
(CHEMBL3601039)
Show SMILES O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)C1 |r|
Show InChI InChI=1S/C25H28ClN3O2/c26-21-9-7-20(8-10-21)25-14-11-22(27-28-25)3-2-16-31-24-12-5-19(6-13-24)17-29-15-1-4-23(30)18-29/h5-14,23,30H,1-4,15-18H2/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 595n/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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50106582
PNG
(CHEMBL3601039)
Show SMILES O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)C1 |r|
Show InChI InChI=1S/C25H28ClN3O2/c26-21-9-7-20(8-10-21)25-14-11-22(27-28-25)3-2-16-31-24-12-5-19(6-13-24)17-29-15-1-4-23(30)18-29/h5-14,23,30H,1-4,15-18H2/t23-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.47E+3n/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