BDBM50197679 CHEMBL3908555
SMILES: Fc1ccc(OCCN2C(=O)NC3(CCCCC3)C2=O)cc1
InChI Key: InChIKey=WWRSQXLLQVERHE-UHFFFAOYSA-N
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 |
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LDL-associated phospholipase A2 (Homo sapiens (Human)) | BDBM50197679 (CHEMBL3908555) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate | J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |