BDBM187408 US9169252, 9

SMILES: C[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N

InChI Key: InChIKey=ZJBVOZDIUPZVLN-SCLBCKFNSA-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 = 187408   

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))	BDBM187408 (US9169252, 9) Show SMILES C[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C22H25FN6O3/c1-13(12-30)28-17-7-19(29-5-4-15-6-14(8-24)9-26-20(15)29)25-10-16(17)21(31)27-11-18(23)22(2,3)32/h4-7,9-10,13,18,30,32H,11-12H2,1-3H3,(H,25,28)(H,27,31)/t13-,18+/m0/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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