Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082864'   

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))	BDBM50082864 (1-{5-[6-(2,4-Difluoro-phenyl)-2,4-dimethyl-5-methy...) Show SMILES CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)cc1F |c:4,t:7| Show InChI InChI=1S/C32H40F2N4O3/c1-22-28(30(39)35-3)29(26-14-13-25(33)21-27(26)34)38(23(2)36-22)18-10-6-9-17-37-19-15-32(16-20-37,31(40)41-4)24-11-7-5-8-12-24/h5,7-8,11-14,21,29H,6,9-10,15-20H2,1-4H3,(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.				J Med Chem 42: 4804-13 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4K5R
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