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BDBM50267833 1-[3-(3,4-Dihydroisoquinolin-2(1H)-yl)propyl]-1,3-dihydro-2H-indol-2-one::CHEMBL455210

SMILES: O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1

InChI Key: InChIKey=FMSOQNHSEFQTDJ-UHFFFAOYSA-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 = 50267833   
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))
BDBM50267833
PNG
(1-[3-(3,4-Dihydroisoquinolin-2(1H)-yl)propyl]-1,3-...)
Show SMILES O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O/c23-20-14-17-7-3-4-9-19(17)22(20)12-5-11-21-13-10-16-6-1-2-8-18(16)15-21/h1-4,6-9H,5,10-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
105n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267833
PNG
(1-[3-(3,4-Dihydroisoquinolin-2(1H)-yl)propyl]-1,3-...)
Show SMILES O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O/c23-20-14-17-7-3-4-9-19(17)22(20)12-5-11-21-13-10-16-6-1-2-8-18(16)15-21/h1-4,6-9H,5,10-15H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


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


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair