BDBM188996 US9169260, 262

SMILES: CN(C1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1)S(C)(=O)=O

InChI Key: InChIKey=VGRMSARLKSHLNS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 188996   

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))	BDBM188996 (US9169260, 262) Show SMILES CN(C1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1)S(C)(=O)=O |(-8.54,-6.79,;-7.05,-7.19,;-5.96,-6.1,;-6.36,-4.61,;-5.27,-3.53,;-3.78,-3.92,;-3.39,-5.41,;-4.47,-6.5,;-2.69,-2.84,;-3.09,-1.35,;-2,-.26,;-.52,-.66,;-.12,-2.14,;-1.21,-3.23,;.57,.43,;.1,1.9,;1.34,2.8,;1.34,4.34,;.01,5.11,;-1.33,4.34,;.01,6.65,;1.25,7.56,;.78,9.02,;-.76,9.02,;-1.79,10.17,;-3.3,9.85,;-3.77,8.38,;-2.74,7.24,;-1.24,7.56,;2.59,1.9,;2.11,.43,;4.08,2.3,;5.16,1.21,;6.65,1.6,;7.05,3.09,;8.54,3.49,;5.96,4.18,;4.47,3.78,;-6.65,-8.68,;-5.16,-8.28,;-6.25,-10.17,;-8.14,-9.08,)| Show InChI InChI=1S/C29H37N9O3S/c1-20-5-10-26(31-18-20)38-27(33-29(39)24-19-32-37-14-4-13-30-28(24)37)17-25(34-38)21-11-15-36(16-12-21)23-8-6-22(7-9-23)35(2)42(3,40)41/h4-5,10,13-14,17-19,21-23H,6-9,11-12,15-16H2,1-3H3,(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.2	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...				US Patent US9169260 (2015) BindingDB Entry DOI: 10.7270/Q26H4G6N
					More data for this Ligand-Target Pair