BDBM187856 US9169252, 399

SMILES: Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1

InChI Key: InChIKey=MJSBQSATVRAEQB-LJQANCHMSA-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 = 187856   

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))	BDBM187856 (US9169252, 399) Show SMILES Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r| Show InChI InChI=1S/C23H23FN8O2/c1-23(2,34)19(24)12-28-22(33)17-11-26-20(7-18(17)30-16-10-29-31(3)13-16)32-5-4-15-6-14(8-25)9-27-21(15)32/h4-7,9-11,13,19,34H,12H2,1-3H3,(H,26,30)(H,28,33)/t19-/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	1.30	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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