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SMILES: CC(C)Nc1nc(ncc1-c1nnc(C)s1)-c1cccc(c1)-c1cnn(C)c1

InChI Key: InChIKey=YNEYTVBTSABBLP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347809   

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))	BDBM347809 (US9790221, Compound 15) Show SMILES CC(C)Nc1nc(ncc1-c1nnc(C)s1)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C20H21N7S/c1-12(2)23-19-17(20-26-25-13(3)28-20)10-21-18(24-19)15-7-5-6-14(8-15)16-9-22-27(4)11-16/h5-12H,1-4H3,(H,21,23,24)	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-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))	BDBM347809 (US9790221, Compound 15) Show SMILES CC(C)Nc1nc(ncc1-c1nnc(C)s1)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C20H21N7S/c1-12(2)23-19-17(20-26-25-13(3)28-20)10-21-18(24-19)15-7-5-6-14(8-15)16-9-22-27(4)11-16/h5-12H,1-4H3,(H,21,23,24)	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