Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM187711'   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187711 (US9169252, 262) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r| Show InChI InChI=1S/C21H25FN8O2/c1-11(2)28-15-6-17(25-9-14(15)20(31)26-10-16(22)21(3,4)32)30-19-13(8-27-30)5-12(7-23)18(24)29-19/h5-6,8-9,11,16,32H,10H2,1-4H3,(H2,24,29)(H,25,28)(H,26,31)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
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