BDBM187931 US9169252, 474

SMILES: COC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N

InChI Key: InChIKey=XXLWVTBCFNKQRF-YLJYHZDGSA-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 = 187931   

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))	BDBM187931 (US9169252, 474) Show SMILES COC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C25H28FN7O4/c1-25(2,36)20(26)13-30-23(34)18-12-28-21(33-7-4-16-8-15(10-27)11-29-22(16)33)9-19(18)31-17-5-6-32(14-17)24(35)37-3/h4,7-9,11-12,17,20,36H,5-6,13-14H2,1-3H3,(H,28,31)(H,30,34)/t17-,20-/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	1.20	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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