BDBM187906 US9169252, 449

SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-n1ccc2cc(cnc12)C#N

InChI Key: InChIKey=HWJXGCYEYGOGCE-DENIHFKCSA-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 = 187906   

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))	BDBM187906 (US9169252, 449) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C27H27F2N9O2/c1-27(2,40)22(29)14-33-25(39)20-13-31-23(38-6-3-17-7-16(9-30)10-32-24(17)38)8-21(20)36-19-4-5-37(15-19)26-34-11-18(28)12-35-26/h3,6-8,10-13,19,22,40H,4-5,14-15H2,1-2H3,(H,31,36)(H,33,39)/t19-,22-/m1/s1	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	1.5	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
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