BDBM50040866 CHEMBL3353207::US9169260, 322

SMILES: Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCCCC1

InChI Key: InChIKey=MKNCWJFVAVJXBC-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 = 50040866   

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))	BDBM50040866 (CHEMBL3353207 | US9169260, 322) Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCCCC1 Show InChI InChI=1S/C27H33N9O/c1-20-9-10-23(29-18-20)36-24(31-27(37)22-19-30-35-12-6-11-28-26(22)35)17-25(32-36)34-15-13-33(14-16-34)21-7-4-2-3-5-8-21/h6,9-12,17-19,21H,2-5,7-8,13-16H2,1H3,(H,31,37)	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))	BDBM50040866 (CHEMBL3353207 | US9169260, 322) Show SMILES Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCCCC1 Show InChI InChI=1S/C27H33N9O/c1-20-9-10-23(29-18-20)36-24(31-27(37)22-19-30-35-12-6-11-28-26(22)35)17-25(32-36)34-15-13-33(14-16-34)21-7-4-2-3-5-8-21/h6,9-12,17-19,21H,2-5,7-8,13-16H2,1H3,(H,31,37)	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