BDBM50040786 CHEMBL3353200

SMILES: Cl.CN1CCN(CC1)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1

InChI Key: InChIKey=DENXHBFRECRKIO-KADIMKPJSA-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 = 50040786   

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))	BDBM50040786 (CHEMBL3353200) Show SMILES Cl.CN1CCN(CC1)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r| Show InChI InChI=1S/C28H33N7O3S/c1-34-9-11-35(12-10-34)19-6-4-5-18(14-19)30-28-29-15-20(27-32-21-7-2-3-8-23(21)39-27)26(33-28)31-22-13-17(16-36)24(37)25(22)38/h2-8,14-15,17,22,24-25,36-38H,9-13,16H2,1H3,(H2,29,30,31,33)/t17-,22?,24-,25+/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	2.60	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