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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)' and Ligand = 'BDBM50010617'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


J Med Chem 33: 1015-22 (1990)


Article DOI: 10.1021/jm00165a020
BindingDB Entry DOI: 10.7270/Q2PV6JBT
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Effective concentration required for agonistic activity against rat D2 long receptor


Bioorg Med Chem Lett 12: 2377-80 (2002)


Article DOI: 10.1016/s0960-894x(02)00390-6
BindingDB Entry DOI: 10.7270/Q2Z89BRG
More data for this
Ligand-Target Pair