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BDBM50056035 CHEMBL107336::Pyrimidine-4-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide

SMILES: COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1

InChI Key: InChIKey=JUASUUUSTHHWOL-UHFFFAOYSA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056035   
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50056035
PNG
(CHEMBL107336 | Pyrimidine-4-carboxylic acid {2-[4-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1
Show InChI InChI=1S/C18H23N5O2/c1-25-17-5-3-2-4-16(17)23-12-10-22(11-13-23)9-8-20-18(24)15-6-7-19-14-21-15/h2-7,14H,8-13H2,1H3,(H,20,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056035
PNG
(CHEMBL107336 | Pyrimidine-4-carboxylic acid {2-[4-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1
Show InChI InChI=1S/C18H23N5O2/c1-25-17-5-3-2-4-16(17)23-12-10-22(11-13-23)9-8-20-18(24)15-6-7-19-14-21-15/h2-7,14H,8-13H2,1H3,(H,20,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair