BindingDB logo
myBDB logout

BDBM50070653 CHEMBL3409047

SMILES: O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1

InChI Key: InChIKey=DOWMDQVQVVIGRQ-DHUJRADRSA-N

Data: 2 KI

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 2 hits for monomerid = 50070653   
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 7


(Homo sapiens (Human))
BDBM50070653
PNG
(CHEMBL3409047)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C37H46N4O2/c42-36(41-29-32-17-8-7-16-31(32)28-35(41)37(43)40-22-12-3-13-23-40)20-6-2-11-21-38-24-26-39(27-25-38)34-19-10-9-18-33(34)30-14-4-1-5-15-30/h1,4-5,7-10,14-19,35H,2-3,6,11-13,20-29H2/t35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50070653
PNG
(CHEMBL3409047)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C37H46N4O2/c42-36(41-29-32-17-8-7-16-31(32)28-35(41)37(43)40-22-12-3-13-23-40)20-6-2-11-21-38-24-26-39(27-25-38)34-19-10-9-18-33(34)30-14-4-1-5-15-30/h1,4-5,7-10,14-19,35H,2-3,6,11-13,20-29H2/t35-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair