BDBM50130669 CHEMBL3634614::US10329295, Example 35

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

InChI Key: InChIKey=HUHRNIHSHWKZQT-QWHCGFSZSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50130669   

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))	BDBM50130669 (CHEMBL3634614 | US10329295, Example 35) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)24-26)22-17(28)16-7-6-11-9-21-18(25-27(11)16)23-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,28)(H,23,25)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50130669 (CHEMBL3634614 | US10329295, Example 35) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)24-26)22-17(28)16-7-6-11-9-21-18(25-27(11)16)23-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,28)(H,23,25)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
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))	BDBM50130669 (CHEMBL3634614 | US10329295, Example 35) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)24-26)22-17(28)16-7-6-11-9-21-18(25-27(11)16)23-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,28)(H,23,25)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	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