BDBM318831 US10517872, Compound 8::US9624246, Compound 8

SMILES: Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3

InChI Key: InChIKey=JTDOHCWXAJEHMM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 318831   

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))	BDBM318831 (US10517872, Compound 8 | US9624246, Compound 8) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3 Show InChI InChI=1S/C19H19N7O4/c1-25-11-14-17(24-25)19(29)20-8-3-9-30-15-6-7-16(27)26(23-15)10-12-4-2-5-13(21-12)18(28)22-14/h2,4-7,11H,3,8-10H2,1H3,(H,20,29)(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	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))	BDBM318831 (US10517872, Compound 8 | US9624246, Compound 8) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3 Show InChI InChI=1S/C19H19N7O4/c1-25-11-14-17(24-25)19(29)20-8-3-9-30-15-6-7-16(27)26(23-15)10-12-4-2-5-13(21-12)18(28)22-14/h2,4-7,11H,3,8-10H2,1H3,(H,20,29)(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 (IRAK1) (Homo sapiens (Human))	BDBM318831 (US10517872, Compound 8 | US9624246, Compound 8) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3 Show InChI InChI=1S/C19H19N7O4/c1-25-11-14-17(24-25)19(29)20-8-3-9-30-15-6-7-16(27)26(23-15)10-12-4-2-5-13(21-12)18(28)22-14/h2,4-7,11H,3,8-10H2,1H3,(H,20,29)(H,22,28)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	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 (IRAK1) (Homo sapiens (Human))	BDBM318831 (US10517872, Compound 8 | US9624246, Compound 8) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3 Show InChI InChI=1S/C19H19N7O4/c1-25-11-14-17(24-25)19(29)20-8-3-9-30-15-6-7-16(27)26(23-15)10-12-4-2-5-13(21-12)18(28)22-14/h2,4-7,11H,3,8-10H2,1H3,(H,20,29)(H,22,28)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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