BDBM278750 2-(3,8- diazabicyclo[3.2.1]oct- 3-yl)-N-[1-methyl-3- (trifluoromethyl)-1H- pyrazol-4- yl]pyrrolo[1,2- b]pyridazine-7- carboxamide trifluoroacetate::US10040798, Example 47

SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC(C2)N3)c(n1)C(F)(F)F

InChI Key: InChIKey=FMSACBWRBKBVPE-UHFFFAOYSA-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 = 278750   

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))	BDBM278750 (2-(3,8- diazabicyclo[3.2.1]oct- 3-yl)-N-[1-methyl-...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC(C2)N3)c(n1)C(F)(F)F Show InChI InChI=1S/C19H20F3N7O.C2HF3O2/c1-27-10-14(17(26-27)19(20,21)22)24-18(30)15-6-4-13-5-7-16(25-29(13)15)28-8-11-2-3-12(9-28)23-11;3-2(4,5)1(6)7/h4-7,10-12,23H,2-3,8-9H2,1H3,(H,24,30);(H,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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 US10040798 (2018) BindingDB Entry DOI: 10.7270/Q2F191Q7
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