BDBM50040870 CHEMBL3353203::US9221809, 213

SMILES: F[C@H]1CCNC[C@@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1

InChI Key: InChIKey=BAEMOWYINAFWKT-JSGCOSHPSA-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 = 50040870   

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))	BDBM50040870 (CHEMBL3353203 | US9221809, 213) Show SMILES F[C@H]1CCNC[C@@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r| Show InChI InChI=1S/C20H23FN6O2S/c21-12-5-6-22-11-14(12)23-17-16(19-24-13-3-1-2-4-15(13)30-19)18(28)26-20(25-17)27-7-9-29-10-8-27/h1-4,12,14,22H,5-11H2,(H2,23,25,26,28)/t12-,14-/m0/s1	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	14	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))	BDBM50040870 (CHEMBL3353203 | US9221809, 213) Show SMILES F[C@H]1CCNC[C@@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r| Show InChI InChI=1S/C20H23FN6O2S/c21-12-5-6-22-11-14(12)23-17-16(19-24-13-3-1-2-4-15(13)30-19)18(28)26-20(25-17)27-7-9-29-10-8-27/h1-4,12,14,22H,5-11H2,(H2,23,25,26,28)/t12-,14-/m0/s1	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	14	n/a	n/a	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP. US Patent					Assay Description A 20 ul reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecul...				US Patent US9221809 (2015) BindingDB Entry DOI: 10.7270/Q23B5XZM
					More data for this Ligand-Target Pair