BDBM347977 US9790221, Compound 183

SMILES: Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)NS(C)(=O)=O)n1

InChI Key: InChIKey=ICKUQFBSRYDPQK-BGYRXZFFSA-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 = 347977   

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))	BDBM347977 (US9790221, Compound 183) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)NS(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.25,5.84,;.76,6.23,;-.15,4.99,;-1.61,5.46,;-1.61,7,;-.15,7.48,;-2.94,4.69,;-4.28,5.46,;-5.61,4.69,;-5.61,3.15,;-4.28,2.38,;-2.94,3.15,;-4.28,.84,;-5.61,.07,;-5.61,-1.47,;-4.28,-2.24,;-4.28,-3.78,;-5.52,-4.68,;-5.05,-6.15,;-3.51,-6.15,;-2.74,-7.48,;-3.03,-4.68,;-2.94,-1.47,;-1.61,-2.24,;-.28,-1.47,;.12,.02,;1.61,-.38,;1.21,-1.86,;2.94,.39,;4.28,-.38,;5.61,.39,;3.51,-1.71,;5.05,-1.71,;-2.94,.07,)| Show InChI InChI=1S/C23H26N8O2S/c1-30-13-17(10-25-30)15-5-4-6-16(7-15)22-24-12-21(18-11-26-31(2)14-18)23(28-22)27-19-8-20(9-19)29-34(3,32)33/h4-7,10-14,19-20,29H,8-9H2,1-3H3,(H,24,27,28)/t19-,20+	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))	BDBM347977 (US9790221, Compound 183) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)NS(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.25,5.84,;.76,6.23,;-.15,4.99,;-1.61,5.46,;-1.61,7,;-.15,7.48,;-2.94,4.69,;-4.28,5.46,;-5.61,4.69,;-5.61,3.15,;-4.28,2.38,;-2.94,3.15,;-4.28,.84,;-5.61,.07,;-5.61,-1.47,;-4.28,-2.24,;-4.28,-3.78,;-5.52,-4.68,;-5.05,-6.15,;-3.51,-6.15,;-2.74,-7.48,;-3.03,-4.68,;-2.94,-1.47,;-1.61,-2.24,;-.28,-1.47,;.12,.02,;1.61,-.38,;1.21,-1.86,;2.94,.39,;4.28,-.38,;5.61,.39,;3.51,-1.71,;5.05,-1.71,;-2.94,.07,)| Show InChI InChI=1S/C23H26N8O2S/c1-30-13-17(10-25-30)15-5-4-6-16(7-15)22-24-12-21(18-11-26-31(2)14-18)23(28-22)27-19-8-20(9-19)29-34(3,32)33/h4-7,10-14,19-20,29H,8-9H2,1-3H3,(H,24,27,28)/t19-,20+	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