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SMILES: CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)C(F)(F)F)CC1

InChI Key: InChIKey=QAWQNXXSPFROGF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50181155   
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))
BDBM50181155
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)15-18(31-20)33-12-10-32(11-13-33)7-4-5-8-34-9-6-16(14-19(34)35)22(24,25)26/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11.4n/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))
BDBM50181155
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)15-18(31-20)33-12-10-32(11-13-33)7-4-5-8-34-9-6-16(14-19(34)35)22(24,25)26/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
231n/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