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BDBM50177360 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione::CHEMBL426473

SMILES: Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n(C)c1=O

InChI Key: InChIKey=DVJYRJGVDBAXTD-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 = 50177360   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50177360
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n(C)c1=O
Show InChI InChI=1S/C23H33F3N6O2/c1-16-15-32(21(34)29(5)19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,6-13H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor


Bioorg Med Chem Lett 16: 490-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50177360
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n(C)c1=O
Show InChI InChI=1S/C23H33F3N6O2/c1-16-15-32(21(34)29(5)19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,6-13H2,1-5H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
356n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D2 receptor


Bioorg Med Chem Lett 16: 490-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89
More data for this
Ligand-Target Pair