BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)Nc2ccccc2)CC1

InChI Key: InChIKey=NUYNDLVLQFHYBG-UHFFFAOYSA-N

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 = 50181162   
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))
BDBM50181162
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-30-19(24(25,26)27)17-20(31-21)33-15-13-32(14-16-33)12-8-7-11-28-22(34)29-18-9-5-4-6-10-18/h4-6,9-10,17H,7-8,11-16H2,1-3H3,(H2,28,29,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50181162
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-30-19(24(25,26)27)17-20(31-21)33-15-13-32(14-16-33)12-8-7-11-28-22(34)29-18-9-5-4-6-10-18/h4-6,9-10,17H,7-8,11-16H2,1-3H3,(H2,28,29,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
59.1n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D2 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair