Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50421579'   

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 (Homo sapiens (Human))	BDBM50421579 (CHEMBL116700) Show SMILES C(Oc1ccccc1-c1ccccc1)c1cnc[nH]1 Show InChI InChI=1S/C16H14N2O/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)19-11-14-10-17-12-18-14/h1-10,12H,11H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human alpha-1A-adrenoreceptor receptors expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421579 (CHEMBL116700) Show SMILES C(Oc1ccccc1-c1ccccc1)c1cnc[nH]1 Show InChI InChI=1S/C16H14N2O/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)19-11-14-10-17-12-18-14/h1-10,12H,11H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
					More data for this Ligand-Target Pair