BDBM50246777 CHEMBL4067181

SMILES: COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12

InChI Key: InChIKey=LGTYBAXSDYHKJV-IYARVYRRSA-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 = 50246777   

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))	BDBM50246777 (CHEMBL4067181) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:13.17,wD:10.10,(21.79,-16.28,;21.8,-14.75,;20.47,-13.96,;20.48,-12.42,;19.14,-14.73,;19.13,-16.27,;17.79,-17.02,;16.47,-16.25,;16.47,-14.71,;17.81,-13.95,;15.14,-17.01,;13.8,-16.24,;12.46,-17.01,;12.47,-18.55,;13.8,-19.32,;15.13,-18.55,;11.14,-19.32,;11.14,-20.86,;12.48,-21.62,;12.48,-23.17,;11.15,-23.94,;9.81,-23.17,;8.35,-23.65,;7.43,-22.41,;8.33,-21.15,;7.85,-19.7,;8.87,-18.54,;8.38,-17.09,;6.88,-16.77,;5.85,-17.92,;6.33,-19.39,;9.81,-21.62,)| Show InChI InChI=1S/C23H34N6O3/c1-31-23(30)29-10-8-28(9-11-29)18-4-2-17(3-5-18)27-22-20-19(16-6-12-32-13-7-16)14-24-21(20)25-15-26-22/h14-18H,2-13H2,1H3,(H2,24,25,26,27)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246777 (CHEMBL4067181) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:13.17,wD:10.10,(21.79,-16.28,;21.8,-14.75,;20.47,-13.96,;20.48,-12.42,;19.14,-14.73,;19.13,-16.27,;17.79,-17.02,;16.47,-16.25,;16.47,-14.71,;17.81,-13.95,;15.14,-17.01,;13.8,-16.24,;12.46,-17.01,;12.47,-18.55,;13.8,-19.32,;15.13,-18.55,;11.14,-19.32,;11.14,-20.86,;12.48,-21.62,;12.48,-23.17,;11.15,-23.94,;9.81,-23.17,;8.35,-23.65,;7.43,-22.41,;8.33,-21.15,;7.85,-19.7,;8.87,-18.54,;8.38,-17.09,;6.88,-16.77,;5.85,-17.92,;6.33,-19.39,;9.81,-21.62,)| Show InChI InChI=1S/C23H34N6O3/c1-31-23(30)29-10-8-28(9-11-29)18-4-2-17(3-5-18)27-22-20-19(16-6-12-32-13-7-16)14-24-21(20)25-15-26-22/h14-18H,2-13H2,1H3,(H2,24,25,26,27)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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