BDBM50068534 CHEMBL3403451::US9598440, 18

SMILES: OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O

InChI Key: InChIKey=XVFLICFXUXVOID-HSGBFHSBSA-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 = 50068534   

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))	BDBM50068534 (CHEMBL3403451 | US9598440, 18) Show SMILES OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H29N5O3S/c29-12-13-10-17(20(31)19(13)30)26-21-15(22-27-16-8-4-5-9-18(16)32-22)11-24-23(28-21)25-14-6-2-1-3-7-14/h4-5,8-9,11,13-14,17,19-20,29-31H,1-3,6-7,10,12H2,(H2,24,25,26,28)/t13-,17-,19-,20+/m1/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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50068534 (CHEMBL3403451 | US9598440, 18) Show SMILES OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H29N5O3S/c29-12-13-10-17(20(31)19(13)30)26-21-15(22-27-16-8-4-5-9-18(16)32-22)11-24-23(28-21)25-14-6-2-1-3-7-14/h4-5,8-9,11,13-14,17,19-20,29-31H,1-3,6-7,10,12H2,(H2,24,25,26,28)/t13-,17-,19-,20+/m1/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	3.01E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylat...				Bioorg Med Chem Lett 25: 1836-41 (2015) Article DOI: 10.1016/j.bmcl.2015.03.043 BindingDB Entry DOI: 10.7270/Q20P11QQ
					More data for this Ligand-Target Pair