null

SMILES: Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F

InChI Key: InChIKey=PQQJUWOCHPXYOJ-NWDGAFQWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50130676   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50130676 (CHEMBL3634378 | US10329295, Example 2) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N8O/c1-28-9-13(15(26-28)18(19,20)21)24-16(30)14-7-6-10-8-23-17(27-29(10)14)25-12-5-3-2-4-11(12)22/h6-9,11-12H,2-5,22H2,1H3,(H,24,30)(H,25,27)/t11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin)				Bioorg Med Chem Lett 25: 5384-8 (2015) BindingDB Entry DOI: 10.7270/Q2WS8W3R
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50130676 (CHEMBL3634378 | US10329295, Example 2) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N8O/c1-28-9-13(15(26-28)18(19,20)21)24-16(30)14-7-6-10-8-23-17(27-29(10)14)25-12-5-3-2-4-11(12)22/h6-9,11-12H,2-5,22H2,1H3,(H,24,30)(H,25,27)/t11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2QC05WN
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50130676 (CHEMBL3634378 | US10329295, Example 2) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N8O/c1-28-9-13(15(26-28)18(19,20)21)24-16(30)14-7-6-10-8-23-17(27-29(10)14)25-12-5-3-2-4-11(12)22/h6-9,11-12H,2-5,22H2,1H3,(H,24,30)(H,25,27)/t11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of IRAK4 in human PBMC				Bioorg Med Chem Lett 25: 5384-8 (2015) BindingDB Entry DOI: 10.7270/Q2WS8W3R
					More data for this Ligand-Target Pair