BDBM347992 US9790221, Compound 198

SMILES: CC(=O)NCC1CCC(CC1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1

InChI Key: InChIKey=NPWIFLLNABNSHT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 347992   

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))	BDBM347992 (US9790221, Compound 198) Show SMILES CC(=O)NCC1CCC(CC1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |(6.67,.07,;5.33,.84,;5.33,2.38,;4,.07,;2.67,.84,;1.33,.07,;1.33,-1.47,;,-2.24,;-1.33,-1.47,;-1.33,.07,;,.84,;-2.67,-2.24,;-4,-1.47,;-4,.07,;-5.33,.84,;-6.67,.07,;-6.67,-1.47,;-5.33,-2.24,;-5.33,-3.78,;-6.58,-4.68,;-6.1,-6.15,;-4.56,-6.15,;-3.79,-7.48,;-4.09,-4.68,;-5.33,2.38,;-6.67,3.15,;-6.67,4.69,;-5.33,5.46,;-4,4.69,;-4,3.15,;-2.67,5.46,;-2.67,7,;-1.2,7.48,;-.3,6.23,;1.19,5.84,;-1.2,4.99,)| Show InChI InChI=1S/C27H32N8O/c1-18(36)28-12-19-7-9-24(10-8-19)32-27-25(23-14-31-35(3)17-23)15-29-26(33-27)21-6-4-5-20(11-21)22-13-30-34(2)16-22/h4-6,11,13-17,19,24H,7-10,12H2,1-3H3,(H,28,36)(H,29,32,33)	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-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 (IRAK1) (Homo sapiens (Human))	BDBM347992 (US9790221, Compound 198) Show SMILES CC(=O)NCC1CCC(CC1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |(6.67,.07,;5.33,.84,;5.33,2.38,;4,.07,;2.67,.84,;1.33,.07,;1.33,-1.47,;,-2.24,;-1.33,-1.47,;-1.33,.07,;,.84,;-2.67,-2.24,;-4,-1.47,;-4,.07,;-5.33,.84,;-6.67,.07,;-6.67,-1.47,;-5.33,-2.24,;-5.33,-3.78,;-6.58,-4.68,;-6.1,-6.15,;-4.56,-6.15,;-3.79,-7.48,;-4.09,-4.68,;-5.33,2.38,;-6.67,3.15,;-6.67,4.69,;-5.33,5.46,;-4,4.69,;-4,3.15,;-2.67,5.46,;-2.67,7,;-1.2,7.48,;-.3,6.23,;1.19,5.84,;-1.2,4.99,)| Show InChI InChI=1S/C27H32N8O/c1-18(36)28-12-19-7-9-24(10-8-19)32-27-25(23-14-31-35(3)17-23)15-29-26(33-27)21-6-4-5-20(11-21)22-13-30-34(2)16-22/h4-6,11,13-17,19,24H,7-10,12H2,1-3H3,(H,28,36)(H,29,32,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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, 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