Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50118335'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50118335 (3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	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 (Rattus norvegicus (rat))	BDBM50118335 (3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against Beta-glucosidase from Almond				J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50118335 (3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.03	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50118335 (3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...) Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12 Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31.2	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