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SMILES: Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@@H](N)C2)c(n1)C(F)(F)F

InChI Key: InChIKey=NKLHMQIBLBZVKZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095535   

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))	BDBM50095535 (CHEMBL3590517 | US10329294, Example 177) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@@H](N)C2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C10H16N2O2/c1-2-8-9(14-12-10(8)13)7-3-5-11-6-4-7/h7,11H,2-6H2,1H3,(H,12,13)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) 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: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50095535 (CHEMBL3590517 | US10329294, Example 177) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@@H](N)C2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C10H16N2O2/c1-2-8-9(14-12-10(8)13)7-3-5-11-6-4-7/h7,11H,2-6H2,1H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader				ACS Med Chem Lett 6: 683-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00107 BindingDB Entry DOI: 10.7270/Q2QF8VNH
					More data for this Ligand-Target Pair