BDBM50085993 (E)-N-(((2S,4R)-4-((biphenyl-2-ylmethyl)(isobutyl)amino)-1-(2-(2,4-difluorobenzoyl)benzoyl)pyrrolidin-2-yl)methyl)-3-(4-((Z)-(2,4-dioxothiazolidin-5-ylidene)methyl)phenyl)acrylamide::CHEMBL441326::N-{4-(Biphenyl-2-ylmethyl-isobutyl-amino)-1-[2-(2,4-difluoro-benzoyl)-benzoyl]-pyrrolidin-2-ylmethyl}-3-[4-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-phenyl]-acrylamide
SMILES: CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)C=Cc2ccc(C=C3SC(O)=NC3=O)cc2)N(C1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1F
InChI Key: InChIKey=OBIPTWMZQPZWHN-QPPIDDCLSA-N
Data: 2 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)) | BDBM50085993 ((E)-N-(((2S,4R)-4-((biphenyl-2-ylmethyl)(isobutyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of M£nster Curated by ChEMBL | Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC | Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cPLA2 C2 (Homo sapiens (Human)) | BDBM50085993 ((E)-N-(((2S,4R)-4-((biphenyl-2-ylmethyl)(isobutyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.80 | 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 |