BDBM50040856 CHEMBL3353208::US9169260, 321

SMILES: Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCOCC1

InChI Key: InChIKey=KFGPSRYBPKAUNB-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 = 50040856   

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))	BDBM50040856 (CHEMBL3353208 | US9169260, 321) Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCOCC1 Show InChI InChI=1S/C25H29N9O2/c1-18-3-4-21(27-16-18)34-22(29-25(35)20-17-28-33-8-2-7-26-24(20)33)15-23(30-34)32-11-9-31(10-12-32)19-5-13-36-14-6-19/h2-4,7-8,15-17,19H,5-6,9-14H2,1H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 IRAK4 (unknown origin)				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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50040856 (CHEMBL3353208 | US9169260, 321) Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCOCC1 Show InChI InChI=1S/C25H29N9O2/c1-18-3-4-21(27-16-18)34-22(29-25(35)20-17-28-33-8-2-7-26-24(20)33)15-23(30-34)32-11-9-31(10-12-32)19-5-13-36-14-6-19/h2-4,7-8,15-17,19H,5-6,9-14H2,1H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.2	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...				US Patent US9169260 (2015) BindingDB Entry DOI: 10.7270/Q26H4G6N
					More data for this Ligand-Target Pair