Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50090315'   

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))	BDBM50090315 (4-Phenyl-1-[3-(2-p-tolyl-acetylamino)-propyl]-pipe...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H32N2O3/c1-20-9-11-21(12-10-20)19-23(28)26-15-6-16-27-17-13-25(14-18-27,24(29)30-2)22-7-4-3-5-8-22/h3-5,7-12H,6,13-19H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50090315 (4-Phenyl-1-[3-(2-p-tolyl-acetylamino)-propyl]-pipe...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H32N2O3/c1-20-9-11-21(12-10-20)19-23(28)26-15-6-16-27-17-13-25(14-18-27,24(29)30-2)22-7-4-3-5-8-22/h3-5,7-12H,6,13-19H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair