BDBM188750 US9169260, 16

SMILES: COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=SYDKQMZBHBEGBU-UHFFFAOYSA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 188750   

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))	BDBM188750 (US9169260, 16) Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H25N7O4S/c1-34-18-6-4-17(5-7-18)30-21(26-23(31)19-15-25-29-11-3-10-24-22(19)29)14-20(27-30)16-8-12-28(13-9-16)35(2,32)33/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged full length human IRAK4 expressed in baculovirus-infected insect Sf9 cells using 5FAM-RKRQGSVRRRVH-CO...				ACS Med Chem Lett 6: 677-82 (2015) Article DOI: 10.1021/acsmedchemlett.5b00106 BindingDB Entry DOI: 10.7270/Q2G73GGK
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM188750 (US9169260, 16) Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H25N7O4S/c1-34-18-6-4-17(5-7-18)30-21(26-23(31)19-15-25-29-11-3-10-24-22(19)29)14-20(27-30)16-8-12-28(13-9-16)35(2,32)33/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,26,31)	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	<100	n/a	n/a	n/a	n/a	7.2	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...				US Patent US9169260 (2015) BindingDB Entry DOI: 10.7270/Q26H4G6N
					More data for this Ligand-Target Pair