BDBM50002280 1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-ethanone; compound with but-2-enedioic acid;0.75hydrate::CHEMBL442965

SMILES: Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=JTLLMTUMOOUYPU-UHFFFAOYSA-N

Data: 2 KI  1 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 = 50002280   

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
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002280 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Mus musculus (Mouse))	BDBM50002280 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50002280 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor D2				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair