BDBM50118326 1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propan-1-ol;::CHEMBL335082

SMILES: OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12

InChI Key: InChIKey=KPJPDPHSTNUEQY-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50118326   

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))	BDBM50118326 (1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12 Show InChI InChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118326 (1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12 Show InChI InChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50118326 (1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12 Show InChI InChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56.2	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Inhibition of (+)-8-OH-DPAT stimulated [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1A receptor in hippocampal membranes				J Med Chem 45: 4128-39 (2002) BindingDB Entry DOI: 10.7270/Q2X63M87
					More data for this Ligand-Target Pair