BDBM50205532 4-{2-[1-benzhydryl-5-nitro-2-(3-phenylmethanesulfonyl-propyl)-1H-indol-3-yl]-ethoxy}-benzoic acid::CHEMBL220736

SMILES: OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(cc23)[N+]([O-])=O)cc1

InChI Key: InChIKey=QHDUXLQDEWBAID-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50205532   

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))	BDBM50205532 (4-{2-[1-benzhydryl-5-nitro-2-(3-phenylmethanesulfo...) Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C39H35N3O7S/c43-39(44)31-16-19-33(20-17-31)49-25-23-34-35-26-32(42(45)46)18-21-36(35)41(38(29-12-6-2-7-13-29)30-14-8-3-9-15-30)37(34)22-24-40-50(47,48)27-28-10-4-1-5-11-28/h1-21,26,38,40H,22-25,27H2,(H,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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