Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50102240'   

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))	BDBM50102240 (CHEMBL61643 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O2/c1-24-9-13-27(14-10-24)31(36,28-15-11-25(2)12-16-28)29(35)33-19-6-20-34-21-17-30(23-32,18-22-34)26-7-4-3-5-8-26/h3-5,7-16,36H,6,17-22H2,1-2H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	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
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