BDBM50095466 CHEMBL3590471::US10155765, Example 12

SMILES: Cn1cc(NC(=O)c2cnn3ccc(NC4CCCC4N)nc23)c(n1)C(N)=O

InChI Key: InChIKey=KOYVDTCEECDRKG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50095466   

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))	BDBM50095466 (CHEMBL3590471 | US10155765, Example 12) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCCC4N)nc23)c(n1)C(N)=O Show InChI InChI=1S/C17H21N9O2/c1-25-8-12(14(24-25)15(19)27)22-17(28)9-7-20-26-6-5-13(23-16(9)26)21-11-4-2-3-10(11)18/h5-8,10-11H,2-4,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28)	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	95	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					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...				US Patent US10155765 (2018) BindingDB Entry DOI: 10.7270/Q21V5H2J
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50095466 (CHEMBL3590471 | US10155765, Example 12) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NC4CCCC4N)nc23)c(n1)C(N)=O Show InChI InChI=1S/C17H21N9O2/c1-25-8-12(14(24-25)15(19)27)22-17(28)9-7-20-26-6-5-13(23-16(9)26)21-11-4-2-3-10(11)18/h5-8,10-11H,2-4,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	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