BDBM50039814 4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-1-phenyl-butan-1-one; hydrochloride::CHEMBL542671

SMILES: O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1

InChI Key: InChIKey=SBYDNCUVUQOIOI-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 = 50039814   

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))	BDBM50039814 (4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...) Show SMILES O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	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))	BDBM50039814 (4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...) Show SMILES O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.676	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))	BDBM50039814 (4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...) Show SMILES O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells (experiment 1)				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))	BDBM50039814 (4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...) Show SMILES O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells (experiment 2)				Bioorg Med Chem Lett 8: 2457-62 (1999) BindingDB Entry DOI: 10.7270/Q2KS6SQ1
					More data for this Ligand-Target Pair