Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50421517'   

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-1B adrenergic receptor (Homo sapiens (Human))	BDBM50421517 (CHEMBL450018) Show SMILES CCN(C)C(=O)c1ccccc1NCC1=NCCN1 |t:15| Show InChI InChI=1S/C14H20N4O/c1-3-18(2)14(19)11-6-4-5-7-12(11)17-10-13-15-8-9-16-13/h4-7,17H,3,8-10H2,1-2H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.05E+4	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 human Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 11: 2871-4 (2001) BindingDB Entry DOI: 10.7270/Q2CC1201
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50421517 (CHEMBL450018) Show SMILES CCN(C)C(=O)c1ccccc1NCC1=NCCN1 |t:15| Show InChI InChI=1S/C14H20N4O/c1-3-18(2)14(19)11-6-4-5-7-12(11)17-10-13-15-8-9-16-13/h4-7,17H,3,8-10H2,1-2H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Potency against cloned human alpha 1B 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