BDBM302912 US9598440, 50

SMILES: OC[C@H]1C[C@@H](Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O

InChI Key: InChIKey=MNXXKJASDHHEAR-NDKINLCJSA-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 = 302912   

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))	BDBM302912 (US9598440, 50) Show SMILES OC[C@H]1C[C@@H](Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r,$;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C24H23N7O3S/c32-11-13-8-18(21(34)20(13)33)28-22-15(23-29-17-3-1-2-4-19(17)35-23)10-25-24(30-22)27-14-5-6-16-12(7-14)9-26-31-16/h1-7,9-10,13,18,20-21,32-34H,8,11H2,(H,26,31)(H2,25,27,28,30)/t13-,18-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	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