BDBM50242700 CHEMBL4088745::US9932350, 3-20

SMILES: CS(=O)(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N

InChI Key: InChIKey=FODZOYACZQSCRY-QAQDUYKDSA-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 = 50242700   

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))	BDBM50242700 (CHEMBL4088745 | US9932350, 3-20) Show SMILES CS(=O)(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(38.83,-2.39,;37.49,-1.61,;36.72,-.27,;38.26,-.27,;36.16,-2.38,;36.15,-3.92,;34.83,-4.69,;33.5,-3.92,;33.49,-2.38,;34.83,-1.61,;32.17,-4.69,;30.83,-3.92,;29.49,-4.69,;29.51,-6.23,;30.84,-7,;32.17,-6.23,;28.18,-7,;28.19,-8.54,;29.52,-9.3,;29.53,-10.85,;28.2,-11.62,;26.86,-10.86,;25.53,-11.63,;24.19,-10.86,;24.2,-9.32,;25.53,-8.55,;26.86,-9.31,;22.86,-8.55,;21.52,-7.78,)| Show InChI InChI=1S/C20H26N6O2S/c1-29(27,28)26-10-8-25(9-11-26)17-5-3-16(4-6-17)24-20-18-12-15(13-21)2-7-19(18)22-14-23-20/h2,7,12,14,16-17H,3-6,8-11H2,1H3,(H,22,23,24)/t16-,17-	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	8	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))	BDBM50242700 (CHEMBL4088745 | US9932350, 3-20) Show SMILES CS(=O)(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(38.83,-2.39,;37.49,-1.61,;36.72,-.27,;38.26,-.27,;36.16,-2.38,;36.15,-3.92,;34.83,-4.69,;33.5,-3.92,;33.49,-2.38,;34.83,-1.61,;32.17,-4.69,;30.83,-3.92,;29.49,-4.69,;29.51,-6.23,;30.84,-7,;32.17,-6.23,;28.18,-7,;28.19,-8.54,;29.52,-9.3,;29.53,-10.85,;28.2,-11.62,;26.86,-10.86,;25.53,-11.63,;24.19,-10.86,;24.2,-9.32,;25.53,-8.55,;26.86,-9.31,;22.86,-8.55,;21.52,-7.78,)| Show InChI InChI=1S/C20H26N6O2S/c1-29(27,28)26-10-8-25(9-11-26)17-5-3-16(4-6-17)24-20-18-12-15(13-21)2-7-19(18)22-14-23-20/h2,7,12,14,16-17H,3-6,8-11H2,1H3,(H,22,23,24)/t16-,17-	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]NANM of 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