BDBM347891 US9790221, Compound 97

SMILES: Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCCCCO)n1

InChI Key: InChIKey=NCYQWMIDVYIEBP-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 = 347891   

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))	BDBM347891 (US9790221, Compound 97) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCCCCO)n1 Show InChI InChI=1S/C22H25N7O/c1-28-10-8-20(27-28)19-14-24-21(26-22(19)23-9-3-4-11-30)17-7-5-6-16(12-17)18-13-25-29(2)15-18/h5-8,10,12-15,30H,3-4,9,11H2,1-2H3,(H,23,24,26)	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))	BDBM347891 (US9790221, Compound 97) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCCCCO)n1 Show InChI InChI=1S/C22H25N7O/c1-28-10-8-20(27-28)19-14-24-21(26-22(19)23-9-3-4-11-30)17-7-5-6-16(12-17)18-13-25-29(2)15-18/h5-8,10,12-15,30H,3-4,9,11H2,1-2H3,(H,23,24,26)	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