Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50452372'   

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 (Homo sapiens (Human))	BDBM50452372 (CHEMBL4204665) Show SMILES COc1ccccc1N1CCN(CCCN2CCOc3ccccc23)CC1 Show InChI InChI=1S/C22H29N3O2/c1-26-21-9-4-2-7-19(21)25-15-13-23(14-16-25)11-6-12-24-17-18-27-22-10-5-3-8-20(22)24/h2-5,7-10H,6,11-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50452372 (CHEMBL4204665) Show SMILES COc1ccccc1N1CCN(CCCN2CCOc3ccccc23)CC1 Show InChI InChI=1S/C22H29N3O2/c1-26-21-9-4-2-7-19(21)25-15-13-23(14-16-25)11-6-12-24-17-18-27-22-10-5-3-8-20(22)24/h2-5,7-10H,6,11-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor (unknown origin)				Bioorg Med Chem Lett 27: 5420-5423 (2017) Article DOI: 10.1016/j.bmcl.2017.11.007 BindingDB Entry DOI: 10.7270/Q2GX4F4Z
					More data for this Ligand-Target Pair