Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082834'   

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))	BDBM50082834 (1'-[6-(3,4-Difluoro-phenyl)-5-methoxycarbonyl-4-me...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)N1CCC(CC1)N1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4| Show InChI InChI=1S/C32H36F2N4O6/c1-20-26(28(39)43-2)27(21-9-10-24(33)25(34)19-21)38(30(41)35-20)31(42)37-15-11-23(12-16-37)36-17-13-32(14-18-36,29(40)44-3)22-7-5-4-6-8-22/h4-10,19,23,27H,11-18H2,1-3H3,(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	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: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
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