BDBM50002336 2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentan-2-ol::CHEMBL141912

SMILES: CC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1

InChI Key: InChIKey=INVDAXJKYDQCMS-UHFFFAOYSA-N

Data: 2 IC50

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 = 50002336   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002336 (2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES CC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C19H24F2N4O/c1-19(26,15-3-5-16(20)6-4-15)7-2-8-24-9-11-25(12-10-24)18-22-13-17(21)14-23-18/h3-6,13-14,26H,2,7-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002336 (2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES CC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C19H24F2N4O/c1-19(26,15-3-5-16(20)6-4-15)7-2-8-24-9-11-25(12-10-24)18-22-13-17(21)14-23-18/h3-6,13-14,26H,2,7-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair