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SMILES: Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3

InChI Key: InChIKey=ZZPZTQIZEUBASL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 318837   

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))	BDBM318837 (US10517872, Compound 14 | US9624246, Compound 14) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C25H22N6O3/c1-30-15-21-23(29-30)25(34)26-11-10-16-4-2-6-18(12-16)20-8-9-22(32)31(28-20)14-17-5-3-7-19(13-17)24(33)27-21/h2-9,12-13,15H,10-11,14H2,1H3,(H,26,34)(H,27,33)	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))	BDBM318837 (US10517872, Compound 14 | US9624246, Compound 14) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C25H22N6O3/c1-30-15-21-23(29-30)25(34)26-11-10-16-4-2-6-18(12-16)20-8-9-22(32)31(28-20)14-17-5-3-7-19(13-17)24(33)27-21/h2-9,12-13,15H,10-11,14H2,1H3,(H,26,34)(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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 [194-712] (Homo sapiens (Human))	BDBM318837 (US10517872, Compound 14 | US9624246, Compound 14) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C25H22N6O3/c1-30-15-21-23(29-30)25(34)26-11-10-16-4-2-6-18(12-16)20-8-9-22(32)31(28-20)14-17-5-3-7-19(13-17)24(33)27-21/h2-9,12-13,15H,10-11,14H2,1H3,(H,26,34)(H,27,33)	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))	BDBM318837 (US10517872, Compound 14 | US9624246, Compound 14) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C25H22N6O3/c1-30-15-21-23(29-30)25(34)26-11-10-16-4-2-6-18(12-16)20-8-9-22(32)31(28-20)14-17-5-3-7-19(13-17)24(33)27-21/h2-9,12-13,15H,10-11,14H2,1H3,(H,26,34)(H,27,33)	PDB UniProtKB/SwissProt 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