BDBM187842 US9169252, 385

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

InChI Key: InChIKey=OEYYOVDYZPNDOJ-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 = 187842   

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))	BDBM187842 (US9169252, 385) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C22H22FN9O4S/c1-22(2,34)18(23)11-27-21(33)16-10-25-19(32-20-14(8-29-32)4-13(6-24)7-26-20)5-17(16)30-15-9-28-31(12-15)37(3,35)36/h4-5,7-10,12,18,34H,11H2,1-3H3,(H,25,30)(H,27,33)/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	0.900	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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