BDBM50159015 4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidine::CHEMBL178700

SMILES: C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=RSDAEFPWFADGBB-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50159015   

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))	BDBM50159015 (4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...) Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.61	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 Dopamine receptor D2				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))	BDBM50159015 (4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...) Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.2	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 (Cavia porcellus (Guinea pig))	BDBM50159015 (4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...) Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method				Eur J Med Chem 112: 1-19 (2016) BindingDB Entry DOI: 10.7270/Q23J3FTB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50159015 (4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...) Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.6	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50159015 (4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...) Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins				Eur J Med Chem 112: 1-19 (2016) BindingDB Entry DOI: 10.7270/Q23J3FTB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50159015 (4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...) Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.4	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50159015 (4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...) Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	447	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 dopamine D2 receptor using 0.2 nM [3H]-spiperone				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