Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50187749'   

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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50187749 (3-(1-(3-(piperidin-1-yl)propyl)piperidin-4-yl)-1H-...) Show SMILES C(CN1CCCCC1)CN1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C21H31N3/c1-4-11-23(12-5-1)13-6-14-24-15-9-18(10-16-24)20-17-22-21-8-3-2-7-19(20)21/h2-3,7-8,17-18,22H,1,4-6,9-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from adrenergic alpha-1A receptor in rat submaxillary gland membranes				Bioorg Med Chem Lett 16: 4045-7 (2006) Article DOI: 10.1016/j.bmcl.2006.05.002 BindingDB Entry DOI: 10.7270/Q2514001
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50187749 (3-(1-(3-(piperidin-1-yl)propyl)piperidin-4-yl)-1H-...) Show SMILES C(CN1CCCCC1)CN1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C21H31N3/c1-4-11-23(12-5-1)13-6-14-24-15-9-18(10-16-24)20-17-22-21-8-3-2-7-19(20)21/h2-3,7-8,17-18,22H,1,4-6,9-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1A adrenoceptor in rat submaxillary gland membrane				Bioorg Med Chem Lett 25: 3921-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.046 BindingDB Entry DOI: 10.7270/Q27M09Q4
					More data for this Ligand-Target Pair