BDBM50108079 CHEMBL3601079

SMILES: COc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1

InChI Key: InChIKey=SJOGURVJQVGSTO-OWCDTVLYSA-N

Data: 1 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 1 hit for monomerid = 50108079   

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))	BDBM50108079 (CHEMBL3601079) Show SMILES COc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r| Show InChI InChI=1S/C22H23N7O4S/c1-33-17-7-12(2-5-24-17)26-22-25-8-13(21-28-14-3-4-23-9-16(14)34-21)20(29-22)27-15-6-11(10-30)18(31)19(15)32/h2-5,7-9,11,15,18-19,30-32H,6,10H2,1H3,(H2,24,25,26,27,29)/t11-,15-,18-,19+/m1/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human IRAK4 (unknown origin)				Bioorg Med Chem Lett 25: 3203-7 (2015) BindingDB Entry DOI: 10.7270/Q2S46TR6
					More data for this Ligand-Target Pair