Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2C adrenergic receptor' and Ligand = 'BDBM50146515'   

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))	BDBM50146515 ((3R,3aS)-7,8-Dimethoxy-3-{4-[3-(2-methoxy-phenyl)-...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31| Show InChI InChI=1S/C28H35N3O5/c1-19(13-20-7-5-6-8-23(20)32-2)16-30-9-11-31(12-10-30)17-27-22-18-35-24-15-26(34-4)25(33-3)14-21(24)28(22)29-36-27/h5-8,13-15,22,27H,9-12,16-18H2,1-4H3/b19-13+/t22-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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 In vitro binding affinity to human alpha-2C adrenergic receptor				Bioorg Med Chem Lett 14: 2917-22 (2004) Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM
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