BDBM50085984 CHEMBL9161::N-[1-[2-(2,4-Difluoro-benzoyl)-benzoyl]-4-(3-isobutyl-2'-isopropyl-biphenyl-2-yloxy)-pyrrolidin-2-ylmethyl]-4-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-benzamide
SMILES: CC(C)Cc1cccc(c1O[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(O)=NC3=O)cc2)N(C1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1F)-c1ccccc1C(C)C
InChI Key: InChIKey=NSZHSSWJSHQWOO-OIDHKYIRSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cPLA2 C2 (Homo sapiens (Human)) | BDBM50085984 (CHEMBL9161 | N-[1-[2-(2,4-Difluoro-benzoyl)-benzoy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of Human cPLA2 alpha using Enzyme assay(PC/DOG assay) | J Med Chem 43: 1041-4 (2000) BindingDB Entry DOI: 10.7270/Q27P8XMZ | |||||||||||
More data for this Ligand-Target Pair |