Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50081819'   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50081819 (2-Ethyl-4-(4-nitro-phenyl)-6-propyl-1,4-dihydro-py...) Show SMILES CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3| Show InChI InChI=1S/C40H49N5O4/c1-4-14-34-37(35(29-19-21-32(22-20-29)45(48)49)36(33(5-2)43-34)38(46)41-6-3)39(47)42-25-13-26-44-27-23-40(24-28-44,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-22,35-36H,4-6,13-14,23-28H2,1-3H3,(H,41,46)(H,42,47)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against human Alpha-1d adrenergic receptor				Bioorg Med Chem Lett 9: 2843-8 (1999) BindingDB Entry DOI: 10.7270/Q2NK3FJ2
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