BDBM50177345 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpyrimidin-2(1H)-one::CHEMBL202253

SMILES: Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1

InChI Key: InChIKey=NZIPBDPDZPUDLD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50177345   

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))	BDBM50177345 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/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	4.40	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 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(3) dopamine receptor (Homo sapiens (Human))	BDBM50177345 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/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	4.40	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))	BDBM50177345 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/h7,10,15H,5-6,8-9,11-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	307	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50177345 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/h7,10,15H,5-6,8-9,11-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	307	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 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