BDBM278744 2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[3- (difluoromethyl)-1- methyl-1H-pyrazol-4- yl]pyrrolo[1,2- b]pyridazine-7- carboxamide trifluoroacetate::US10040798, Example 41

SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F

InChI Key: InChIKey=ABBHNAUPFGLTCZ-UTONKHPSSA-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 = 278744   

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))	BDBM278744 (2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[3- (difluor...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C19H23F2N7O.C2HF3O2/c1-27-11-14(17(26-27)18(20)21)24-19(29)15-7-5-13-6-8-16(25-28(13)15)23-12-4-2-3-9-22-10-12;3-2(4,5)1(6)7/h5-8,11-12,18,22H,2-4,9-10H2,1H3,(H,23,25)(H,24,29);(H,6,7)/t12-;/m1./s1	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	0.200	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
					More data for this Ligand-Target Pair