Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50211340'   

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))	BDBM50211340 (5-chloro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(30.36,-41.07,;31.13,-39.74,;30.36,-38.4,;31.13,-37.07,;30.36,-35.74,;28.82,-35.74,;28.05,-34.4,;28.05,-37.07,;28.82,-38.4,;28.05,-39.74,;26.72,-38.97,;29.38,-40.51,;27.28,-41.07,;25.74,-41.07,;24.97,-39.74,;23.43,-39.74,;22.66,-41.07,;23.43,-42.4,;24.97,-42.4,;21.12,-41.07,;20.35,-42.4,;18.81,-42.4,;18.04,-41.07,;18.81,-39.74,;20.35,-39.74,;16.5,-41.07,;15.73,-42.4,;14.19,-42.4,;13.42,-41.07,;14.19,-39.74,;15.73,-39.74,;16.5,-38.4,;15.73,-37.07,;16.5,-35.74,;14.19,-37.07,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,9-12,14-17H2,1-3H3/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha1A receptor				Bioorg Med Chem Lett 17: 3292-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.008 BindingDB Entry DOI: 10.7270/Q2PG1RDH
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