BDBM187475 US9169252, 76

SMILES: CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12

InChI Key: InChIKey=XANBFOVLWAGFMY-QGZVFWFLSA-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 = 187475   

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))	BDBM187475 (US9169252, 76) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12 |r| Show InChI InChI=1S/C21H25ClFN5O2/c1-12(2)27-16-8-18(28-6-5-13-7-14(22)9-25-19(13)28)24-10-15(16)20(29)26-11-17(23)21(3,4)30/h5-10,12,17,30H,11H2,1-4H3,(H,24,27)(H,26,29)/t17-/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	1.5	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