BDBM50118337 1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)piperazin-1-yl)propan-1-ol::1-Benzo[b]thiophen-3-yl-3-[4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)-piperazin-1-yl]-propan-1-ol::CHEMBL337659

SMILES: OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12

InChI Key: InChIKey=GSUYNCSYMOXEEO-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 = 50118337   

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))	BDBM50118337 (1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12 Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates				J Med Chem 45: 4128-39 (2002) BindingDB Entry DOI: 10.7270/Q2X63M87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50118337 (1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12 Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal da Para£ba Curated by ChEMBL					Assay Description Antagonist activity at 5HT1A				Eur J Med Chem 45: 1508-14 (2010) Article DOI: 10.1016/j.ejmech.2009.12.059 BindingDB Entry DOI: 10.7270/Q2HX1DX1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118337 (1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12 Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates				J Med Chem 45: 4128-39 (2002) BindingDB Entry DOI: 10.7270/Q2X63M87
					More data for this Ligand-Target Pair