BDBM50544199 CHEMBL4639599

SMILES: CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C

InChI Key: InChIKey=VCKYGCFEOUOUBZ-UHFFFAOYSA-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 = 50544199   

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))	BDBM50544199 (CHEMBL4639599) Show SMILES CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C Show InChI InChI=1S/C18H21N5OS/c1-4-19-18(24)13-9-20-17(8-15(13)22-11(2)3)23-12-5-6-14-16(7-12)25-10-21-14/h5-11H,4H2,1-3H3,(H,19,24)(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) using FL-IPTSPITTTYFFFKKK peptide and ATP as substrate incubated for 60 mins by fluorescence based caliper assay				ACS Med Chem Lett 11: 1402-1409 (2020)
					More data for this Ligand-Target Pair