BDBM50162136 CHEMBL3792924
SMILES: Cn1c(cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCS(=O)(=O)CC1
InChI Key: InChIKey=FLCSHCSBIFPQJJ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LDL-associated phospholipase A2 (Homo sapiens (Human)) | BDBM50162136 (CHEMBL3792924) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University Curated by ChEMBL | Assay Description Binding affinity to human Lp-PLA2 by ITC assay | J Med Chem 59: 5115-20 (2016) BindingDB Entry DOI: 10.7270/Q23F4RMQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
LDL-associated phospholipase A2 (Homo sapiens (Human)) | BDBM50162136 (CHEMBL3792924) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis | J Med Chem 59: 2674-87 (2016) BindingDB Entry DOI: 10.7270/Q2R49SN8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |