Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50474647'   

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))	BDBM50474647 (CHEMBL111391) Show SMILES CCCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C16H21N3O2S/c1-2-9-22(20,21)19-15-8-4-5-12-13(15)6-3-7-14(12)16-10-17-11-18-16/h4-5,8,10-11,14,19H,2-3,6-7,9H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxillary gland by radioligand displacement assay				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50474647 (CHEMBL111391) Show SMILES CCCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C16H21N3O2S/c1-2-9-22(20,21)19-15-8-4-5-12-13(15)6-3-7-14(12)16-10-17-11-18-16/h4-5,8,10-11,14,19H,2-3,6-7,9H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair