BDBM50002318 1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol::CHEMBL140831

SMILES: OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=IIMKXNWBKIJTAL-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 = 50002318   

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))	BDBM50002318 (1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-pipe...) Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H26F2N4O/c25-21-7-3-19(4-8-21)24(31,20-5-9-22(26)10-6-20)11-1-14-29-15-17-30(18-16-29)23-27-12-2-13-28-23/h2-10,12-13,31H,1,11,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002318 (1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-pipe...) Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H26F2N4O/c25-21-7-3-19(4-8-21)24(31,20-5-9-22(26)10-6-20)11-1-14-29-15-17-30(18-16-29)23-27-12-2-13-28-23/h2-10,12-13,31H,1,11,14-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	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)	BDBM50002318 (1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-pipe...) Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H26F2N4O/c25-21-7-3-19(4-8-21)24(31,20-5-9-22(26)10-6-20)11-1-14-29-15-17-30(18-16-29)23-27-12-2-13-28-23/h2-10,12-13,31H,1,11,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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 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