BindingDB logo
myBDB logout

BDBM50213574 7-{3-[1,2,3,4-tetrahydroisoquinolin-2-yl]-propyl}-1,3-dimethyl-7,9-dihydro-3H-purine-2,6,8-trione::CHEMBL389842

SMILES: Cn1c2[nH]c(=O)n(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O

InChI Key: InChIKey=BUYJPECXLSATLM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50213574   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50213574
PNG
(7-{3-[1,2,3,4-tetrahydroisoquinolin-2-yl]-propyl}-...)
Show SMILES Cn1c2[nH]c(=O)n(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)27)24(18(26)20-16)10-5-9-23-11-8-13-6-3-4-7-14(13)12-23/h3-4,6-7H,5,8-12H2,1-2H3,(H,20,26)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.32E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain 5HT1A receptor


Bioorg Med Chem 15: 5239-50 (2007)


Article DOI: 10.1016/j.bmc.2007.05.017
BindingDB Entry DOI: 10.7270/Q22F7P87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50213574
PNG
(7-{3-[1,2,3,4-tetrahydroisoquinolin-2-yl]-propyl}-...)
Show SMILES Cn1c2[nH]c(=O)n(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)27)24(18(26)20-16)10-5-9-23-11-8-13-6-3-4-7-14(13)12-23/h3-4,6-7H,5,8-12H2,1-2H3,(H,20,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.96E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat brain 5HT2A receptor


Bioorg Med Chem 15: 5239-50 (2007)


Article DOI: 10.1016/j.bmc.2007.05.017
BindingDB Entry DOI: 10.7270/Q22F7P87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50213574
PNG
(7-{3-[1,2,3,4-tetrahydroisoquinolin-2-yl]-propyl}-...)
Show SMILES Cn1c2[nH]c(=O)n(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)27)24(18(26)20-16)10-5-9-23-11-8-13-6-3-4-7-14(13)12-23/h3-4,6-7H,5,8-12H2,1-2H3,(H,20,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.65E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor in Wistar rat hypothalamic membrane


Bioorg Med Chem 15: 5239-50 (2007)


Article DOI: 10.1016/j.bmc.2007.05.017
BindingDB Entry DOI: 10.7270/Q22F7P87
More data for this
Ligand-Target Pair