BDBM50040801 CHEMBL3353184

SMILES: CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C#N)c12

InChI Key:

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 = 50040801   

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))	BDBM50040801 (CHEMBL3353184) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C#N)c12 |r,wU:3.2,wD:6.9,(29.49,-21.24,;30.82,-22.02,;30.82,-23.56,;32.16,-21.25,;32.17,-19.71,;33.5,-18.95,;34.83,-19.72,;34.83,-21.26,;33.49,-22.03,;36.17,-18.95,;36.17,-17.41,;34.83,-16.64,;34.83,-15.1,;36.16,-14.33,;37.5,-15.09,;38.97,-14.61,;39.88,-15.86,;38.97,-17.11,;39.46,-18.57,;39.94,-20.03,;37.5,-16.64,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper 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