BDBM187799 US9169252, 347

SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N

InChI Key: InChIKey=IBOZZZSAWUVNEQ-GOSISDBHSA-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 = 187799   

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))	BDBM187799 (US9169252, 347) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H22F3N9O2/c1-23(2,37)18(24)10-30-22(36)16-9-28-20(35-21-14(7-32-35)3-13(5-27)6-29-21)4-17(16)33-15-8-31-34(11-15)12-19(25)26/h3-4,6-9,11,18-19,37H,10,12H2,1-2H3,(H,28,33)(H,30,36)/t18-/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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