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SMILES: Cn1ccc(n1)-c1cnc(nc1NCC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1

InChI Key: InChIKey=VLQGQOAWWLQXOZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347804   

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))	BDBM347804 (US9790221, Compound 10) Show SMILES Cn1ccc(n1)-c1cnc(nc1NCC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C24H28N8/c1-31-10-8-22(30-31)21-15-27-23(29-24(21)26-13-17-5-4-9-25-12-17)19-7-3-6-18(11-19)20-14-28-32(2)16-20/h3,6-8,10-11,14-17,25H,4-5,9,12-13H2,1-2H3,(H,26,27,29)	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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM347804 (US9790221, Compound 10) Show SMILES Cn1ccc(n1)-c1cnc(nc1NCC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C24H28N8/c1-31-10-8-22(30-31)21-15-27-23(29-24(21)26-13-17-5-4-9-25-12-17)19-7-3-6-18(11-19)20-14-28-32(2)16-20/h3,6-8,10-11,14-17,25H,4-5,9,12-13H2,1-2H3,(H,26,27,29)	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair