Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50474666'   

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))	BDBM50474666 (CHEMBL321644) Show SMILES FC(F)(F)CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)8-24(22,23)21-13-6-2-3-10-11(13)4-1-5-12(10)14-7-19-9-20-14/h2-3,6-7,9,12,21H,1,4-5,8H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	123	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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50474666 (CHEMBL321644) Show SMILES FC(F)(F)CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)8-24(22,23)21-13-6-2-3-10-11(13)4-1-5-12(10)14-7-19-9-20-14/h2-3,6-7,9,12,21H,1,4-5,8H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	251	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 (RABBIT)	BDBM50474666 (CHEMBL321644) Show SMILES FC(F)(F)CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)8-24(22,23)21-13-6-2-3-10-11(13)4-1-5-12(10)14-7-19-9-20-14/h2-3,6-7,9,12,21H,1,4-5,8H2,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha1A adrenoreceptor in Oryctolagus cuniculus (rabbit) urethra				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair