BDBM50242708 CHEMBL4101649::US9926330, 1-6

SMILES: CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(F)(F)F

InChI Key: InChIKey=RURAFMHXRRFIKR-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 = 50242708   

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))	BDBM50242708 (CHEMBL4101649 | US9926330, 1-6) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.9,wD:3.2,(32.24,-34.34,;30.91,-33.57,;30.9,-32.03,;29.57,-34.34,;28.24,-33.57,;26.9,-34.35,;26.91,-35.88,;28.25,-36.65,;29.57,-35.88,;25.58,-36.66,;25.59,-38.2,;26.93,-38.96,;26.94,-40.5,;25.6,-41.28,;24.27,-40.51,;22.94,-41.29,;21.6,-40.52,;21.6,-38.98,;22.93,-38.2,;24.27,-38.97,;20.27,-38.21,;20.27,-36.67,;18.94,-38.98,;18.93,-37.44,)| Show InChI InChI=1S/C17H21F3N4/c1-24(2)13-6-4-12(5-7-13)23-16-14-9-11(17(18,19)20)3-8-15(14)21-10-22-16/h3,8-10,12-13H,4-7H2,1-2H3,(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	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 51: 4948-56 (2008) BindingDB Entry DOI: 10.7270/Q2GB26B4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50242708 (CHEMBL4101649 | US9926330, 1-6) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.9,wD:3.2,(32.24,-34.34,;30.91,-33.57,;30.9,-32.03,;29.57,-34.34,;28.24,-33.57,;26.9,-34.35,;26.91,-35.88,;28.25,-36.65,;29.57,-35.88,;25.58,-36.66,;25.59,-38.2,;26.93,-38.96,;26.94,-40.5,;25.6,-41.28,;24.27,-40.51,;22.94,-41.29,;21.6,-40.52,;21.6,-38.98,;22.93,-38.2,;24.27,-38.97,;20.27,-38.21,;20.27,-36.67,;18.94,-38.98,;18.93,-37.44,)| Show InChI InChI=1S/C17H21F3N4/c1-24(2)13-6-4-12(5-7-13)23-16-14-9-11(17(18,19)20)3-8-15(14)21-10-22-16/h3,8-10,12-13H,4-7H2,1-2H3,(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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes				Bioorg Med Chem Lett 27: 2721-2726 (2017) Article DOI: 10.1016/j.bmcl.2017.04.050 BindingDB Entry DOI: 10.7270/Q2RR21NQ
					More data for this Ligand-Target Pair