BDBM50242698 CHEMBL4069200::US9932350, 3-54

SMILES: FC1(F)CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N

InChI Key: InChIKey=CPXVMPAWXPVAJZ-WKILWMFISA-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 = 50242698   

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))	BDBM50242698 (CHEMBL4069200 | US9932350, 3-54) Show SMILES FC1(F)CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,wD:8.8,(39.43,-35.02,;38.67,-36.36,;40.21,-36.35,;38.67,-37.9,;37.34,-38.66,;36.01,-37.89,;36,-36.35,;37.34,-35.59,;34.68,-38.66,;33.35,-37.9,;32.01,-38.67,;32.02,-40.2,;33.36,-40.97,;34.68,-40.2,;30.69,-40.98,;30.7,-42.52,;32.04,-43.28,;32.05,-44.83,;30.71,-45.6,;29.38,-44.83,;28.04,-45.61,;26.71,-44.84,;26.71,-43.3,;28.04,-42.53,;29.37,-43.29,;25.38,-42.53,;24.04,-41.76,)| Show InChI InChI=1S/C20H23F2N5/c21-20(22)7-9-27(10-8-20)16-4-2-15(3-5-16)26-19-17-11-14(12-23)1-6-18(17)24-13-25-19/h1,6,11,13,15-16H,2-5,7-10H2,(H,24,25,26)/t15-,16-	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					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...				Bioorg Med Chem 16: 9113-20 (2008) BindingDB Entry DOI: 10.7270/Q2NS0X7R
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50242698 (CHEMBL4069200 | US9932350, 3-54) Show SMILES FC1(F)CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,wD:8.8,(39.43,-35.02,;38.67,-36.36,;40.21,-36.35,;38.67,-37.9,;37.34,-38.66,;36.01,-37.89,;36,-36.35,;37.34,-35.59,;34.68,-38.66,;33.35,-37.9,;32.01,-38.67,;32.02,-40.2,;33.36,-40.97,;34.68,-40.2,;30.69,-40.98,;30.7,-42.52,;32.04,-43.28,;32.05,-44.83,;30.71,-45.6,;29.38,-44.83,;28.04,-45.61,;26.71,-44.84,;26.71,-43.3,;28.04,-42.53,;29.37,-43.29,;25.38,-42.53,;24.04,-41.76,)| Show InChI InChI=1S/C20H23F2N5/c21-20(22)7-9-27(10-8-20)16-4-2-15(3-5-16)26-19-17-11-14(12-23)1-6-18(17)24-13-25-19/h1,6,11,13,15-16H,2-5,7-10H2,(H,24,25,26)/t15-,16-	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	3	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 binding site 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