BDBM50159023 2-(4-Benzyl-piperazin-1-ylmethyl)-chroman-4-one::CHEMBL180180

SMILES: O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12

InChI Key: InChIKey=KPYUOWNNFWAQHD-UHFFFAOYSA-N

Data: 3 KI

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 = 50159023   

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 (Homo sapiens (Human))	BDBM50159023 (2-(4-Benzyl-piperazin-1-ylmethyl)-chroman-4-one | ...) Show SMILES O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12 Show InChI InChI=1S/C21H24N2O2/c24-20-14-18(25-21-9-5-4-8-19(20)21)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,18H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine				J Med Chem 48: 266-73 (2005) Article DOI: 10.1021/jm049433t BindingDB Entry DOI: 10.7270/Q2JH3MZW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50159023 (2-(4-Benzyl-piperazin-1-ylmethyl)-chroman-4-one | ...) Show SMILES O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12 Show InChI InChI=1S/C21H24N2O2/c24-20-14-18(25-21-9-5-4-8-19(20)21)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,18H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidine				J Med Chem 48: 266-73 (2005) Article DOI: 10.1021/jm049433t BindingDB Entry DOI: 10.7270/Q2JH3MZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50159023 (2-(4-Benzyl-piperazin-1-ylmethyl)-chroman-4-one | ...) Show SMILES O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12 Show InChI InChI=1S/C21H24N2O2/c24-20-14-18(25-21-9-5-4-8-19(20)21)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,18H,10-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant was determined against 5-hydroxytryptamine 1A receptor using 1.2 nM [3H]8-OH-DPAT				J Med Chem 48: 266-73 (2005) Article DOI: 10.1021/jm049433t BindingDB Entry DOI: 10.7270/Q2JH3MZW
					More data for this Ligand-Target Pair