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SMILES: Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3

InChI Key: InChIKey=XHWNTEWYWFMZBL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 318828   

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))	BDBM318828 (US10517872, Compound 5 | US9624246, Compound 5) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C21H22N6O4/c1-26-13-16-19(25-26)21(30)22-9-2-3-10-31-17-7-8-18(28)27(24-17)12-14-5-4-6-15(11-14)20(29)23-16/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,30)(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318828 (US10517872, Compound 5 | US9624246, Compound 5) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C21H22N6O4/c1-26-13-16-19(25-26)21(30)22-9-2-3-10-31-17-7-8-18(28)27(24-17)12-14-5-4-6-15(11-14)20(29)23-16/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,30)(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...				US Patent US10517872 (2019) BindingDB Entry DOI: 10.7270/Q2SN0CCS
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318828 (US10517872, Compound 5 | US9624246, Compound 5) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C21H22N6O4/c1-26-13-16-19(25-26)21(30)22-9-2-3-10-31-17-7-8-18(28)27(24-17)12-14-5-4-6-15(11-14)20(29)23-16/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,30)(H,23,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...				US Patent US10517872 (2019) BindingDB Entry DOI: 10.7270/Q2SN0CCS
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318828 (US10517872, Compound 5 | US9624246, Compound 5) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C21H22N6O4/c1-26-13-16-19(25-26)21(30)22-9-2-3-10-31-17-7-8-18(28)27(24-17)12-14-5-4-6-15(11-14)20(29)23-16/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,30)(H,23,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair