Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50219153'   

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))	BDBM50219153 (CHEMBL414185) Show SMILES COC(=O)c1ccccc1NCC1=NCCN1 |t:13| Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)	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	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...				Bioorg Med Chem Lett 12: 575-9 (2002) BindingDB Entry DOI: 10.7270/Q2Z320ZN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50219153 (CHEMBL414185) Show SMILES COC(=O)c1ccccc1NCC1=NCCN1 |t:13| Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)	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	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.				Bioorg Med Chem Lett 11: 2871-4 (2001) BindingDB Entry DOI: 10.7270/Q2CC1201
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50219153 (CHEMBL414185) Show SMILES COC(=O)c1ccccc1NCC1=NCCN1 |t:13| Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)	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	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Effective concentration showing agonistic activity towards Human alpha-1A adrenergic receptor, expressed in rat 1 fibroblast cells was determined				Bioorg Med Chem Lett 13: 1183-6 (2003) BindingDB Entry DOI: 10.7270/Q21V5G8T
					More data for this Ligand-Target Pair