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SMILES: Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3

InChI Key: InChIKey=DEQPRWCETBREMX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 355818   

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 1 [194-712] (Homo sapiens (Human))	BDBM355818 (US9815836, Compound 3 | US9815836, Compound 35) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)	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 US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM355818 (US9815836, Compound 3 | US9815836, Compound 35) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)	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 US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355818 (US9815836, Compound 3 | US9815836, Compound 35) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)	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 US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM355818 (US9815836, Compound 3 | US9815836, Compound 35) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)	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 US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair