Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor kinase 1' and Ligand = 'BDBM53267'   

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
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM53267 (4-[2-[(E)-[2,4-bis(oxidanylidene)-3-(2-oxidanylide...) Show SMILES OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O Show InChI InChI=1S/C21H19N3O5S/c25-18(22-9-1-2-10-22)13-24-19(26)17(30-21(24)29)12-16-4-3-11-23(16)15-7-5-14(6-8-15)20(27)28/h3-8,11-12H,1-2,9-10,13H2,(H,27,28)/b17-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
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