Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM438684'   

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))	BDBM438684 (US10618903, Example 251) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC2CC2)c1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)10-29-23(35)18-8-27-19(17-9-31-34-12-15(25)6-28-22(17)34)5-20(18)32-16-7-30-33(13-16)11-14-3-4-14/h5-9,12-14,21,36H,3-4,10-11H2,1-2H3,(H,27,32)(H,29,35)/t21-/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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