Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2C adrenergic receptor' and Ligand = 'BDBM50163484'   

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-2C adrenergic receptor (Homo sapiens (Human))	BDBM50163484 (2,2-Dimethyl-propionic acid (3R,3aS)-3-[4-((E)-2-m...) Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C(C)(C)C)ccc32)CC1)=C/c1ccccc1 |c:10| Show InChI InChI=1S/C30H37N3O4/c1-21(16-22-8-6-5-7-9-22)18-32-12-14-33(15-13-32)19-27-25-20-35-26-17-23(36-29(34)30(2,3)4)10-11-24(26)28(25)31-37-27/h5-11,16-17,25,27H,12-15,18-20H2,1-4H3/b21-16+/t25-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for alpha-2C adrenergic receptor				J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC
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