BDBM187888 US9169252, 429

SMILES: CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N

InChI Key: InChIKey=FMQQFZUOVARRSR-KESTWPANSA-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 = 187888   

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))	BDBM187888 (US9169252, 429) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.33,2.04,;-9,2.81,;-9,4.35,;-10.33,3.58,;-7.66,2.04,;-7.66,.5,;-6.33,-.27,;-4.99,.5,;-4.99,2.04,;-6.33,2.81,;-3.66,-.27,;-2.33,.5,;-2.33,2.04,;-.99,-.27,;-.99,-1.81,;.34,-2.58,;1.67,-1.81,;1.67,-.27,;.34,.5,;.34,2.04,;1.67,2.81,;3.21,2.81,;2.44,4.14,;3.01,-2.58,;3.25,-4.1,;4.77,-4.35,;5.47,-2.97,;6.96,-2.58,;7.35,-1.09,;6.27,0,;4.78,-.4,;4.38,-1.88,;8.84,-.69,;10.33,-.29,)| Show InChI InChI=1S/C26H30N6O2/c1-26(2,34)18-3-5-20(6-4-18)31-25(33)21-15-28-23(12-22(21)30-19-7-8-19)32-10-9-17-11-16(13-27)14-29-24(17)32/h9-12,14-15,18-20,34H,3-8H2,1-2H3,(H,28,30)(H,31,33)/t18-,20-	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	1.5	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