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BDBM50069047 (7R,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydro-pyrido[1,2-a]pyrazine::CHEMBL166269

SMILES: C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ncccn1

InChI Key: InChIKey=IAMSHZCIGNPBQZ-SJORKVTESA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50069047   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50069047
PNG
((7R,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)
Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17+/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
3.5n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment.


Bioorg Med Chem Lett 8: 725-30 (1999)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069047
PNG
((7R,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)
Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.14E+3n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 8: 725-30 (1999)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair