BDBM50182426 CHEMBL3819543

SMILES: CC(C)COc1cc(=O)n(C)c(=O)n1C

InChI Key: InChIKey=NBDGERYKSQRETJ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50182426   

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
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50182426 (CHEMBL3819543) Show SMILES CC(C)COc1cc(=O)n(C)c(=O)n1C Show InChI InChI=1S/C10H16N2O3/c1-7(2)6-15-9-5-8(13)11(3)10(14)12(9)4/h5,7H,6H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluor...				J Med Chem 59: 5356-67 (2016) BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair				3D Structure (crystal)