BDBM187584 US9169252, 148

SMILES: CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N

InChI Key: InChIKey=JQUWJVLMHMARLA-WGSAOQKQSA-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 = 187584   

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))	BDBM187584 (US9169252, 148) Show SMILES CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.87,2.16,;1.54,2.93,;1.54,4.47,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-9.13,4.47,;-10.46,2.16,;-10.46,3.7,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)| Show InChI InChI=1S/C25H31N7O2/c1-15(2)30-21-10-22(32-23-17(13-29-32)9-16(11-26)12-28-23)27-14-20(21)24(33)31-19-7-5-18(6-8-19)25(3,4)34/h9-10,12-15,18-19,34H,5-8H2,1-4H3,(H,27,30)(H,31,33)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair