BDBM50040730 CHEMBL3353212

SMILES: CC(=O)N1CCC[C@H](C1)n1cc(cn1)-c1cnc(nc1)-c1cccc(c1)-c1cnn(C)c1

InChI Key: InChIKey=KJTBHSRNBSOMFM-HSZRJFAPSA-N

Data: 1 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 1 hit for monomerid = 50040730   

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))	BDBM50040730 (CHEMBL3353212) Show SMILES CC(=O)N1CCC[C@H](C1)n1cc(cn1)-c1cnc(nc1)-c1cccc(c1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H25N7O/c1-17(32)30-8-4-7-23(16-30)31-15-22(13-28-31)20-10-25-24(26-11-20)19-6-3-5-18(9-19)21-12-27-29(2)14-21/h3,5-6,9-15,23H,4,7-8,16H2,1-2H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of IRAK1 (unknown origin) assessed as reduction in biotin tagged phosphorylated peptide substrate1				J Med Chem 58: 96-110 (2015) Article DOI: 10.1021/jm5016044 BindingDB Entry DOI: 10.7270/Q2P84DHS
					More data for this Ligand-Target Pair