Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082855'   

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))	BDBM50082855 (5-Acetyl-6-(3,4-difluoro-phenyl)-4-methyl-2-oxo-3,...) Show SMILES CC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:3| Show InChI InChI=1S/C28H32F2N6O4/c1-17-24(18(2)37)25(19-8-9-21(29)22(30)16-19)36(28(40)33-17)27(39)32-10-5-11-34-12-14-35(15-13-34)23-7-4-3-6-20(23)26(31)38/h3-4,6-9,16,25H,5,10-15H2,1-2H3,(H2,31,38)(H,32,39)(H,33,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.				J Med Chem 42: 4794-803 (1999) BindingDB Entry DOI: 10.7270/Q25B01P0
					More data for this Ligand-Target Pair