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BDBM50177359 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxy-2-oxo-1,2-dihydropyrimidine-5-carbonitrile::CHEMBL201509

SMILES: CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(C#N)c(=O)[nH]c2=O)CC1

InChI Key: InChIKey=UHBDOJLDXNFRPT-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 = 50177359   
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))
BDBM50177359
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(C#N)c(=O)[nH]c2=O)CC1
Show InChI InChI=1S/C22H28F3N7O2/c1-21(2,3)19-27-16(22(23,24)25)12-17(28-19)31-10-8-30(9-11-31)6-4-5-7-32-14-15(13-26)18(33)29-20(32)34/h12,14H,4-11H2,1-3H3,(H,29,33,34)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/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))
BDBM50177359
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(C#N)c(=O)[nH]c2=O)CC1
Show InChI InChI=1S/C22H28F3N7O2/c1-21(2,3)19-27-16(22(23,24)25)12-17(28-19)31-10-8-30(9-11-31)6-4-5-7-32-14-15(13-26)18(33)29-20(32)34/h12,14H,4-11H2,1-3H3,(H,29,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
473n/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