Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50421513'   

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))	BDBM50421513 (CHEMBL421011) Show SMILES CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:16| Show InChI InChI=1S/C15H22N4O/c1-3-19(4-2)15(20)12-7-5-6-8-13(12)18-11-14-16-9-10-17-14/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	851	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Alpha-1A adrenergic receptor in human				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))	BDBM50421513 (CHEMBL421011) Show SMILES CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:16| Show InChI InChI=1S/C15H22N4O/c1-3-19(4-2)15(20)12-7-5-6-8-13(12)18-11-14-16-9-10-17-14/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,17)	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	32	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))	BDBM50421513 (CHEMBL421011) Show SMILES CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:16| Show InChI InChI=1S/C15H22N4O/c1-3-19(4-2)15(20)12-7-5-6-8-13(12)18-11-14-16-9-10-17-14/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,17)	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	32	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...				Bioorg Med Chem Lett 12: 471-5 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q22V2HD6
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421513 (CHEMBL421011) Show SMILES CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:16| Show InChI InChI=1S/C15H22N4O/c1-3-19(4-2)15(20)12-7-5-6-8-13(12)18-11-14-16-9-10-17-14/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,17)	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	32	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