BDBM50177352 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-methylpyrimidine-2,4(1H,3H)-dione::CHEMBL200026

SMILES: Cn1c(=O)ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O

InChI Key: InChIKey=XBGYRVVRFHZLSR-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 = 50177352   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177352 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cn1c(=O)ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-21(2,3)19-26-16(22(23,24)25)15-17(27-19)30-13-11-29(12-14-30)8-5-6-9-31-10-7-18(32)28(4)20(31)33/h7,10,15H,5-6,8-9,11-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50177352 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cn1c(=O)ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-21(2,3)19-26-16(22(23,24)25)15-17(27-19)30-13-11-29(12-14-30)8-5-6-9-31-10-7-18(32)28(4)20(31)33/h7,10,15H,5-6,8-9,11-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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