BDBM278859 2-[(3S)- or (3R)- azepan-3-ylamino]-N- [1-methyl-3- (trifluoromethyl)- 1H-pyrazol-4- yl]thieno[2,3-b] pyrazine-7- carboxamide trifluoroacetate::US10040802, Example 38

SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)(F)F

InChI Key: InChIKey=VYMXGXFFFJKYCF-HNCPQSOCSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 278859   

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))	BDBM278859 (2-[(3S)- or (3R)- azepan-3-ylamino]-N- [1-methyl-3...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N7OS.C2HF3O2/c1-28-8-12(15(27-28)18(19,20)21)25-16(29)11-9-30-17-14(11)26-13(7-23-17)24-10-4-2-3-5-22-6-10;3-2(4,5)1(6)7/h7-10,22H,2-6H2,1H3,(H,24,26)(H,25,29);(H,6,7)/t10-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					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...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
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