BDBM50068461 CHEMBL3403439::US9598440, 83

SMILES: Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1

InChI Key: InChIKey=NOCDZUNOWISWOL-PUYANOKMSA-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 = 50068461   

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))	BDBM50068461 (CHEMBL3403439 | US9598440, 83) Show SMILES Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C16H18N6O3S/c17-16-19-5-8(14-21-9-2-1-3-18-15(9)26-14)13(22-16)20-10-4-7(6-23)11(24)12(10)25/h1-3,5,7,10-12,23-25H,4,6H2,(H3,17,19,20,22)/t7-,10-,11-,12+/m1/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	1.03	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50068461 (CHEMBL3403439 | US9598440, 83) Show SMILES Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C16H18N6O3S/c17-16-19-5-8(14-21-9-2-1-3-18-15(9)26-14)13(22-16)20-10-4-7(6-23)11(24)12(10)25/h1-3,5,7,10-12,23-25H,4,6H2,(H3,17,19,20,22)/t7-,10-,11-,12+/m1/s1	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	530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...				Bioorg Med Chem Lett 25: 1836-41 (2015) Article DOI: 10.1016/j.bmcl.2015.03.043 BindingDB Entry DOI: 10.7270/Q20P11QQ
					More data for this Ligand-Target Pair