BDBM50039818 1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-butyl)-piperazine; hydrochloride::CHEMBL311275::CHEMBL543139

SMILES: C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12

InChI Key: InChIKey=ZKRPGPXPNMTYOU-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50039818   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50039818 (1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-...) Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Duphar Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...				J Med Chem 37: 2761-73 (1994) BindingDB Entry DOI: 10.7270/Q2DJ5G84
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50039818 (1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-...) Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes				Bioorg Med Chem Lett 8: 2457-62 (1999) BindingDB Entry DOI: 10.7270/Q2KS6SQ1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50039818 (1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-...) Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 2)				Bioorg Med Chem Lett 8: 2457-62 (1999) BindingDB Entry DOI: 10.7270/Q2KS6SQ1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50039818 (1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-...) Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 1)				Bioorg Med Chem Lett 8: 2457-62 (1999) BindingDB Entry DOI: 10.7270/Q2KS6SQ1
					More data for this Ligand-Target Pair