Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM317577'   

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))	BDBM317577 (US9624198, 2 | [4-(7-Fluoro-3,4-dihydroisoquinolin...) Show SMILES COCCNc1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2ccc(F)cc2C1 Show InChI InChI=1S/C23H29FN4O2/c1-30-13-9-25-22-5-3-18(15-26-22)23(29)27-11-7-21(8-12-27)28-10-6-17-2-4-20(24)14-19(17)16-28/h2-5,14-15,21H,6-13,16H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
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