BDBM347922 US9790221, Compound 128

SMILES: Cc1nnc(s1)-c1cnc(nc1NC1CCC(N)CC1)-c1cccc(c1)-c1cnn(C)c1

InChI Key: InChIKey=QGRQFIXWJXBWPI-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 = 347922   

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))	BDBM347922 (US9790221, Compound 128) Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCC(N)CC1)-c1cccc(c1)-c1cnn(C)c1 |(-5.09,-8.14,;-4.31,-6.81,;-2.77,-6.81,;-2.29,-5.35,;-3.53,-4.44,;-4.78,-5.34,;-3.53,-2.9,;-4.86,-2.13,;-4.86,-.59,;-3.52,.18,;-2.19,-.59,;-2.2,-2.13,;-.86,-2.91,;.62,-2.51,;1.71,-3.6,;3.2,-3.2,;3.6,-1.71,;5.09,-1.31,;2.51,-.62,;1.02,-1.02,;-3.52,1.72,;-4.85,2.49,;-4.85,4.03,;-3.51,4.8,;-2.18,4.03,;-2.18,2.49,;-.85,4.79,;.62,4.31,;1.53,5.56,;.62,6.8,;1.39,8.14,;-.84,6.33,)| Show InChI InChI=1S/C23H26N8S/c1-14-29-30-23(32-14)20-12-25-21(28-22(20)27-19-8-6-18(24)7-9-19)16-5-3-4-15(10-16)17-11-26-31(2)13-17/h3-5,10-13,18-19H,6-9,24H2,1-2H3,(H,25,27,28)	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))	BDBM347922 (US9790221, Compound 128) Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCC(N)CC1)-c1cccc(c1)-c1cnn(C)c1 |(-5.09,-8.14,;-4.31,-6.81,;-2.77,-6.81,;-2.29,-5.35,;-3.53,-4.44,;-4.78,-5.34,;-3.53,-2.9,;-4.86,-2.13,;-4.86,-.59,;-3.52,.18,;-2.19,-.59,;-2.2,-2.13,;-.86,-2.91,;.62,-2.51,;1.71,-3.6,;3.2,-3.2,;3.6,-1.71,;5.09,-1.31,;2.51,-.62,;1.02,-1.02,;-3.52,1.72,;-4.85,2.49,;-4.85,4.03,;-3.51,4.8,;-2.18,4.03,;-2.18,2.49,;-.85,4.79,;.62,4.31,;1.53,5.56,;.62,6.8,;1.39,8.14,;-.84,6.33,)| Show InChI InChI=1S/C23H26N8S/c1-14-29-30-23(32-14)20-12-25-21(28-22(20)27-19-8-6-18(24)7-9-19)16-5-3-4-15(10-16)17-11-26-31(2)13-17/h3-5,10-13,18-19H,6-9,24H2,1-2H3,(H,25,27,28)	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