Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50090326'   

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))	BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) Show SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30| Show InChI InChI=1S/C29H30F4N4O2/c1-18-27(21(16-26(38)36(18)2)19-4-7-23(31)25(33)14-19)28(39)35-10-3-11-37-12-8-29(17-34,9-13-37)22-6-5-20(30)15-24(22)32/h4-7,14-15,21H,3,8-13,16H2,1-2H3,(H,35,39)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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 antagonism at Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK
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