BDBM50002340 1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-propan-1-ol::CHEMBL140712

SMILES: OC(CCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1

InChI Key: InChIKey=GJHQJZCASPURFX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50002340   

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))	BDBM50002340 (1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES OC(CCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002340 (1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES OC(CCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	814	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro				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)	BDBM50002340 (1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES OC(CCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	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