BDBM187438 US9169252, 39

SMILES: CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12

InChI Key: InChIKey=FJUOQXBUCDNGPY-MRXNPFEDSA-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 = 187438   

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))	BDBM187438 (US9169252, 39) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r| Show InChI InChI=1S/C20H25FN6O2/c1-12(2)26-15-7-17(27-6-5-13-8-22-11-25-18(13)27)23-9-14(15)19(28)24-10-16(21)20(3,4)29/h5-9,11-12,16,29H,10H2,1-4H3,(H,23,26)(H,24,28)/t16-/m1/s1	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	1.10	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