BDBM302999 US9598440, 140

SMILES: CO[C@H]1[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1

InChI Key: InChIKey=PKKFXHRECPJNOM-PYYHNFOQSA-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 = 302999   

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))	BDBM302999 (US9598440, 140) Show SMILES CO[C@H]1[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-13-8-16(9-14(2)27-13)28-25-26-11-17(24-30-18-6-4-5-7-20(18)35-24)23(31-25)29-19-10-15(12-32)21(33)22(19)34-3/h4-9,11,15,19,21-22,32-33H,10,12H2,1-3H3,(H2,26,27,28,29,31)/t15-,19-,21-,22+/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	9	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