Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM50544204'   

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))	BDBM50544204 (CHEMBL4643371) Show SMILES CC(C)Nc1cc(Nc2ccc3nc(C)sc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C22H28FN5O2S/c1-12(2)26-17-9-20(28-14-6-7-16-18(8-14)31-13(3)27-16)24-10-15(17)21(29)25-11-19(23)22(4,5)30/h6-10,12,19,30H,11H2,1-5H3,(H,25,29)(H2,24,26,28)/t19-/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	8	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))	BDBM50544204 (CHEMBL4643371) Show SMILES CC(C)Nc1cc(Nc2ccc3nc(C)sc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C22H28FN5O2S/c1-12(2)26-17-9-20(28-14-6-7-16-18(8-14)31-13(3)27-16)24-10-15(17)21(29)25-11-19(23)22(4,5)30/h6-10,12,19,30H,11H2,1-5H3,(H,25,29)(H2,24,26,28)/t19-/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	1.70E+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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50544204 (CHEMBL4643371) Show SMILES CC(C)Nc1cc(Nc2ccc3nc(C)sc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C22H28FN5O2S/c1-12(2)26-17-9-20(28-14-6-7-16-18(8-14)31-13(3)27-16)24-10-15(17)21(29)25-11-19(23)22(4,5)30/h6-10,12,19,30H,11H2,1-5H3,(H,25,29)(H2,24,26,28)/t19-/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	1.20E+4	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 whole blood assessed as inhibition of LTA-induced IL-6 production preincubated for 30 mins followed by LTA-stimulation a...				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