Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50102243'   

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))	BDBM50102243 (1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-pr...) Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1 Show InChI InChI=1S/C34H37N3O2/c1-25-9-13-28(14-10-25)34(29-15-11-26(2)12-16-29)23-31(38)37(32(34)39)20-6-19-36-21-17-33(24-35,18-22-36)30-8-5-4-7-27(30)3/h4-5,7-16H,6,17-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	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 binding affinity towards cloned human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK
					More data for this Ligand-Target Pair