BDBM50205515 4-(2-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophenyl)methylsulfonamido)ethyl)-1H-indol-3-yl)ethoxy)benzoic acid::4-{2-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}-ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]ethoxy}benzoic acid::CHEMBL269787
SMILES: OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
InChI Key: InChIKey=FMMCHWHNSUBYAV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cPLA2 C2 (Homo sapiens (Human)) | BDBM50205515 (4-(2-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | 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 | |||||||||||||
cPLA2 C2 (Homo sapiens (Human)) | BDBM50205515 (4-(2-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | 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)) | BDBM50205515 (4-(2-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Binding affinity to human cPLA2 alpha by isothermal calorimetry | 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 |