BDBM50002321 3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-hexan-3-ol::CHEMBL141523

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

InChI Key: InChIKey=WZAOXRLRCQESBE-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 = 50002321   

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))	BDBM50002321 (3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.75E+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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002321 (3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 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)	BDBM50002321 (3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)...) Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	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