Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM50544203'   

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))	BDBM50544203 (CHEMBL4647594) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](C)C(C)(C)O |r| Show InChI InChI=1S/C22H29N5O2S/c1-13(2)26-18-9-20(27-15-6-7-17-19(8-15)30-12-25-17)23-11-16(18)21(28)24-10-14(3)22(4,5)29/h6-9,11-14,29H,10H2,1-5H3,(H,24,28)(H2,23,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) using FL-IPTSPITTTYFFFKKK peptide and ATP as substrate incubated for 60 mins by fluorescence based caliper assay				ACS Med Chem Lett 11: 1402-1409 (2020) Article DOI: 10.1021/acsmedchemlett.0c00082 BindingDB Entry DOI: 10.7270/Q2542S4M
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50544203 (CHEMBL4647594) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](C)C(C)(C)O |r| Show InChI InChI=1S/C22H29N5O2S/c1-13(2)26-18-9-20(27-15-6-7-17-19(8-15)30-12-25-17)23-11-16(18)21(28)24-10-14(3)22(4,5)29/h6-9,11-14,29H,10H2,1-5H3,(H,24,28)(H2,23,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of IRAK4 in human PBMC assessed as inhibition of LTA-induced IL-6 production preincubated for 30 mins followed by LTA-stimulation and meas...				ACS Med Chem Lett 11: 1402-1409 (2020) Article DOI: 10.1021/acsmedchemlett.0c00082 BindingDB Entry DOI: 10.7270/Q2542S4M
					More data for this Ligand-Target Pair