BDBM50040802 CHEMBL3361258

SMILES: CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccc(cc3c12)C(N)=O

InChI Key: InChIKey=LDSJKMNCVRZHMR-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 = 50040802   

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))	BDBM50040802 (CHEMBL3361258) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccc(cc3c12)C(N)=O |r,wU:3.2,wD:6.9,(14.07,-21.04,;15.39,-21.82,;15.39,-23.35,;16.73,-21.05,;16.74,-19.52,;18.06,-18.75,;19.4,-19.52,;19.4,-21.06,;18.06,-21.83,;20.73,-18.75,;20.73,-17.22,;19.4,-16.45,;19.4,-14.91,;20.72,-14.14,;22.06,-14.9,;23.53,-14.42,;24.44,-15.67,;25.97,-15.82,;26.6,-17.23,;25.69,-18.49,;24.16,-18.32,;23.53,-16.91,;22.06,-16.45,;26.32,-19.89,;27.85,-20.05,;25.42,-21.14,)| Show InChI InChI=1S/C19H23N5OS/c1-24(2)13-6-4-12(5-7-13)23-18-16-14-9-11(17(20)25)3-8-15(14)26-19(16)22-10-21-18/h3,8-10,12-13H,4-7H2,1-2H3,(H2,20,25)(H,21,22,23)/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