BDBM50040772 CHEMBL3353201

SMILES: Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)cc(C)n1

InChI Key: InChIKey=BEUBKTGYFWGCCS-XHQJWINKSA-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 = 50040772   

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))	BDBM50040772 (CHEMBL3353201) Show SMILES Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)cc(C)n1 |r| Show InChI InChI=1S/C26H30N6O3S/c1-13-9-15(10-14(2)28-13)29-25-27-12-16(24-31-18-7-5-6-8-20(18)36-24)23(32-25)30-19-11-17(26(3,4)35)21(33)22(19)34/h5-10,12,17,19,21-22,33-35H,11H2,1-4H3,(H2,27,28,29,30,32)/t17-,19?,21+,22-/m0/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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) by fluorescence polarization based kinase assay				J Med Chem 58: 96-110 (2015) Article DOI: 10.1021/jm5016044 BindingDB Entry DOI: 10.7270/Q2P84DHS
					More data for this Ligand-Target Pair