BDBM210606 US9546153, ex. 455

SMILES: CC(C)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O

InChI Key: InChIKey=VEPQVUCJLJYDAD-OAHLLOKOSA-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 = 210606   

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))	BDBM210606 (US9546153, ex. 455) Show SMILES CC(C)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H24F2N6O2S/c1-10(2)26-13-6-16(27-17-12(21)5-14-19(28-17)31-9-25-14)23-7-11(13)18(29)24-8-15(22)20(3,4)30/h5-7,9-10,15,30H,8H2,1-4H3,(H,24,29)(H2,23,26,27,28)/t15-/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	0.800	n/a	n/a	n/a	n/a	7.2	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
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