Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM317611'   

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))	BDBM317611 (US9624199, 21 | [5-(1,1-Dioxidothiomorpholin-4-yl)...) Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1cnc(cn1)N1CCS(=O)(=O)CC1 |r| Show InChI InChI=1S/C20H31N5O3S/c1-16-3-2-6-25(15-16)17-4-7-24(8-5-17)20(26)18-13-22-19(14-21-18)23-9-11-29(27,28)12-10-23/h13-14,16-17H,2-12,15H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair