BDBM347975 US9790221, Compound 181

SMILES: Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(O)C2)n1

InChI Key: InChIKey=DVCQNDLDUIPIPD-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 = 347975   

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))	BDBM347975 (US9790221, Compound 181) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(O)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.72,-2.24,;2.12,-3.72,;3.61,-3.33,;4.94,-4.1,;3.21,-1.84,;-2.28,.07,)| Show InChI InChI=1S/C23H25N7O/c1-29-13-18(10-26-29)16-4-3-5-17(8-16)22-25-12-21(19-11-27-30(2)14-19)23(28-22)24-9-15-6-20(31)7-15/h3-5,8,10-15,20,31H,6-7,9H2,1-2H3,(H,24,25,28)	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))	BDBM347975 (US9790221, Compound 181) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(O)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.72,-2.24,;2.12,-3.72,;3.61,-3.33,;4.94,-4.1,;3.21,-1.84,;-2.28,.07,)| Show InChI InChI=1S/C23H25N7O/c1-29-13-18(10-26-29)16-4-3-5-17(8-16)22-25-12-21(19-11-27-30(2)14-19)23(28-22)24-9-15-6-20(31)7-15/h3-5,8,10-15,20,31H,6-7,9H2,1-2H3,(H,24,25,28)	PDB 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