Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM438672'   

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))	BDBM438672 (US10618903, Example 239) Show SMILES CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r| Show InChI InChI=1S/C23H24ClF3N8O2/c1-22(2,37)19(25)9-30-21(36)16-7-28-17(15-8-32-35-10-13(24)5-29-20(15)35)4-18(16)33-14-6-31-34(11-14)12-23(3,26)27/h4-8,10-11,19,37H,9,12H2,1-3H3,(H,28,33)(H,30,36)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	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 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
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