BDBM50108087 CHEMBL3601071::US9598440, 69

SMILES: Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1

InChI Key: InChIKey=LJWAFIOEQZETMX-SNTIZLKRSA-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 = 50108087   

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))	BDBM50108087 (CHEMBL3601071 | US9598440, 69) Show SMILES Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r| Show InChI InChI=1S/C22H23N7O3S/c1-11-6-13(2-5-24-11)26-22-25-8-14(21-28-16-9-23-4-3-17(16)33-21)20(29-22)27-15-7-12(10-30)18(31)19(15)32/h2-6,8-9,12,15,18-19,30-32H,7,10H2,1H3,(H2,24,25,26,27,29)/t12-,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	US Patent	n/a	n/a	3	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))	BDBM50108087 (CHEMBL3601071 | US9598440, 69) Show SMILES Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r| Show InChI InChI=1S/C22H23N7O3S/c1-11-6-13(2-5-24-11)26-22-25-8-14(21-28-16-9-23-4-3-17(16)33-21)20(29-22)27-15-7-12(10-30)18(31)19(15)32/h2-6,8-9,12,15,18-19,30-32H,7,10H2,1H3,(H2,24,25,26,27,29)/t12-,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	3	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