Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082853'   

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))	BDBM50082853 (4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-{3-[4-(3-...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F |c:4| Show InChI InChI=1S/C28H30F5N5O4/c1-17-23(25(39)42-2)24(18-7-8-21(29)22(30)15-18)38(27(41)35-17)26(40)34-9-4-10-36-11-13-37(14-12-36)20-6-3-5-19(16-20)28(31,32)33/h3,5-8,15-16,24H,4,9-14H2,1-2H3,(H,34,40)(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	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
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