null

SMILES: Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N

InChI Key: InChIKey=LXDDQHJOKPIMHL-QWHCGFSZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50095473   

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))	BDBM50095473 (CHEMBL3590477 | US10329294, Example 282) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)25-26)23-18(28)11-9-21-27-7-6-16(24-17(11)27)22-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,24)(H,23,28)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.800	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50095473 (CHEMBL3590477 | US10329294, Example 282) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)25-26)23-18(28)11-9-21-27-7-6-16(24-17(11)27)22-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,24)(H,23,28)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	0.800	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))	BDBM50095473 (CHEMBL3590477 | US10329294, Example 282) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)25-26)23-18(28)11-9-21-27-7-6-16(24-17(11)27)22-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,24)(H,23,28)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.800	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))	BDBM50095473 (CHEMBL3590477 | US10329294, Example 282) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)25-26)23-18(28)11-9-21-27-7-6-16(24-17(11)27)22-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,24)(H,23,28)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	12	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