BDBM50246770 CHEMBL4069060

SMILES: CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(C)c(C)c12

InChI Key: InChIKey=IMNBESNVXUNSNW-JOCQHMNTSA-N

Data: 2 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 2 hits for monomerid = 50246770   

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))	BDBM50246770 (CHEMBL4069060) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(C)c(C)c12 |r,wU:6.9,wD:3.2,(14.77,-13.73,;13.44,-12.96,;13.45,-11.42,;12.11,-13.72,;10.78,-12.95,;9.44,-13.72,;9.45,-15.26,;10.77,-16.02,;12.1,-15.26,;8.11,-16.03,;8.12,-17.57,;9.45,-18.33,;9.45,-19.88,;8.12,-20.65,;6.79,-19.88,;5.32,-20.36,;4.4,-19.12,;2.87,-19.14,;5.3,-17.87,;4.81,-16.41,;6.78,-18.33,)| Show InChI InChI=1S/C16H24N4S/c1-10-11(2)21-16-14(10)15(17-9-18-16)19-12-5-7-13(8-6-12)20(3)4/h9,12-13H,5-8H2,1-4H3,(H,17,18,19)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246770 (CHEMBL4069060) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(C)c(C)c12 |r,wU:6.9,wD:3.2,(14.77,-13.73,;13.44,-12.96,;13.45,-11.42,;12.11,-13.72,;10.78,-12.95,;9.44,-13.72,;9.45,-15.26,;10.77,-16.02,;12.1,-15.26,;8.11,-16.03,;8.12,-17.57,;9.45,-18.33,;9.45,-19.88,;8.12,-20.65,;6.79,-19.88,;5.32,-20.36,;4.4,-19.12,;2.87,-19.14,;5.3,-17.87,;4.81,-16.41,;6.78,-18.33,)| Show InChI InChI=1S/C16H24N4S/c1-10-11(2)21-16-14(10)15(17-9-18-16)19-12-5-7-13(8-6-12)20(3)4/h9,12-13H,5-8H2,1-4H3,(H,17,18,19)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimulated IRAK4 phosphorylation at Thr345/Ser346 residues preincubated fo...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair