BindingDB logo
myBDB logout

BDBM50375909 CHEMBL261231

SMILES: CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1

InChI Key: InChIKey=JHLOYGVWDKMLLX-UHFFFAOYSA-N

Data: 2 IC50

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 = 50375909   
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 (5-HT7)


(Homo sapiens (human))
BDBM50375909
PNG
(CHEMBL261231)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H35N5O3/c1-2-39-28-16-9-8-15-27(28)35-21-19-34(20-22-35)18-10-17-30(37)32-23-29-33-26-14-7-6-13-25(26)31(38)36(29)24-11-4-3-5-12-24/h3-9,11-16H,2,10,17-23H2,1H3,(H,32,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50375909
PNG
(CHEMBL261231)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H35N5O3/c1-2-39-28-16-9-8-15-27(28)35-21-19-34(20-22-35)18-10-17-30(37)32-23-29-33-26-14-7-6-13-25(26)31(38)36(29)24-11-4-3-5-12-24/h3-9,11-16H,2,10,17-23H2,1H3,(H,32,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor


Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair