BDBM50040804 CHEMBL3361256

SMILES: CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccccc3c12

InChI Key: InChIKey=CTQOHWQVVRHQMR-JOCQHMNTSA-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 = 50040804   

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))	BDBM50040804 (CHEMBL3361256) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccccc3c12 |r,wU:3.2,wD:6.9,(53.46,-9.22,;54.79,-9.99,;54.79,-11.53,;56.12,-9.23,;56.13,-7.69,;57.46,-6.93,;58.79,-7.7,;58.79,-9.24,;57.46,-10,;60.13,-6.93,;60.12,-5.39,;58.79,-4.62,;58.8,-3.08,;60.12,-2.31,;61.45,-3.08,;62.93,-2.6,;63.84,-3.84,;65.37,-4,;66,-5.4,;65.09,-6.66,;63.55,-6.5,;62.93,-5.09,;61.45,-4.62,)| Show InChI InChI=1S/C18H22N4S/c1-22(2)13-9-7-12(8-10-13)21-17-16-14-5-3-4-6-15(14)23-18(16)20-11-19-17/h3-6,11-13H,7-10H2,1-2H3,(H,19,20,21)/t12-,13-	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	<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