BDBM50205537 4-(2-(1-benzhydryl-5-chloro-2-(2-(phenylmethylsulfonamido)ethyl)-1H-indol-3-yl)ethoxy)benzoic acid::4-[2-(1-benzhydryl-2-{2-[(benzylsulfonyl)amino]ethyl}-5-chloro-1H-indol-3 -yl)ethoxy]benzoic acid::CHEMBL373778
SMILES: OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
InChI Key: InChIKey=MRFCFORIRNDBEX-UHFFFAOYSA-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)) | BDBM50205537 (4-(2-(1-benzhydryl-5-chloro-2-(2-(phenylmethylsulf...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human cytosolic PLA2alpha by GLU micelle assay | J Med Chem 52: 1156-71 (2009) Article DOI: 10.1021/jm8009876 BindingDB Entry DOI: 10.7270/Q20C4VSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cPLA2 C2 (Homo sapiens (Human)) | BDBM50205537 (4-(2-(1-benzhydryl-5-chloro-2-(2-(phenylmethylsulf...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human cPLA2 alpha by GLU micelle assay | J Med Chem 50: 1380-400 (2007) Article DOI: 10.1021/jm061131z BindingDB Entry DOI: 10.7270/Q23F4PB9 | |||||||||||
More data for this Ligand-Target Pair |