Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082800'   

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))	BDBM50082800 (1-(3-{[4-Methyl-5-methylcarbamoyl-6-(4-nitro-pheny...) Show SMILES CNC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4| Show InChI InChI=1S/C30H36N6O7/c1-20-24(26(37)31-2)25(21-10-12-23(13-11-21)36(41)42)35(29(40)33-20)28(39)32-16-7-17-34-18-14-30(15-19-34,27(38)43-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,37)(H,32,39)(H,33,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	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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