BDBM347926 US9790221, Compound 132

SMILES: Cn1ccc(n1)-c1cnc(nc1O[C@@H]1CCC[C@@H](N)[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1

InChI Key: InChIKey=TUQMDKJRSRLFMP-FCEUIQTBSA-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 = 347926   

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))	BDBM347926 (US9790221, Compound 132) Show SMILES Cn1ccc(n1)-c1cnc(nc1O[C@@H]1CCC[C@@H](N)[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H27N7O2/c1-30-10-9-20(29-30)18-13-26-23(28-24(18)33-21-8-4-7-19(25)22(21)32)16-6-3-5-15(11-16)17-12-27-31(2)14-17/h3,5-6,9-14,19,21-22,32H,4,7-8,25H2,1-2H3/t19-,21-,22+/m1/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))	BDBM347926 (US9790221, Compound 132) Show SMILES Cn1ccc(n1)-c1cnc(nc1O[C@@H]1CCC[C@@H](N)[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H27N7O2/c1-30-10-9-20(29-30)18-13-26-23(28-24(18)33-21-8-4-7-19(25)22(21)32)16-6-3-5-15(11-16)17-12-27-31(2)14-17/h3,5-6,9-14,19,21-22,32H,4,7-8,25H2,1-2H3/t19-,21-,22+/m1/s1	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