BDBM348080 US9790221, Compound 288

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

InChI Key: InChIKey=JGAOGPNHVTXBLP-ZRBLBEILSA-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 = 348080   

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))	BDBM348080 (US9790221, Compound 288) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C25H29N7O2/c1-31-14-18(11-27-31)16-6-5-7-17(10-16)24-26-13-20(19-12-28-32(2)15-19)25(30-24)29-21-8-3-4-9-22(33)23(21)34/h5-7,10-15,21-23,33-34H,3-4,8-9H2,1-2H3,(H,26,29,30)/t21-,22+,23-/m0/s1	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))	BDBM348080 (US9790221, Compound 288) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C25H29N7O2/c1-31-14-18(11-27-31)16-6-5-7-17(10-16)24-26-13-20(19-12-28-32(2)15-19)25(30-24)29-21-8-3-4-9-22(33)23(21)34/h5-7,10-15,21-23,33-34H,3-4,8-9H2,1-2H3,(H,26,29,30)/t21-,22+,23-/m0/s1	PDB 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 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