Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082785'   

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))	BDBM50082785 (6-Ethyl-3-[3-(4-methoxycarbonyl-4-phenyl-piperidin...) Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC |t:2| Show InChI InChI=1S/C31H37N5O8/c1-4-24-25(27(37)43-2)26(21-11-13-23(14-12-21)36(41)42)35(30(40)33-24)29(39)32-17-8-18-34-19-15-31(16-20-34,28(38)44-3)22-9-6-5-7-10-22/h5-7,9-14,26H,4,8,15-20H2,1-3H3,(H,32,39)(H,33,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.				J Med Chem 42: 4764-77 (1999) BindingDB Entry DOI: 10.7270/Q2W959W2
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