BDBM50004499 (R)-O-(2-Hexadecanamidoisohexyl) phosphocholine::CHEMBL322409::{2-[(2-Hexadecanoyl amino-4-methyl-p entyloxy)-hydroxy-phoryloxy]-ethyl}-trimethyl-ammonium

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C

InChI Key: InChIKey=VRBRGHOCXOVDKR-AREMUKBSSA-N

Data: 4 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 4 hits for monomerid = 50004499   

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
Phospholipase A2 (Sus scrofa (pig))	BDBM50004499 ((R)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay				J Med Chem 35: 2939-51 (1992) BindingDB Entry DOI: 10.7270/Q2RF5T0R
					More data for this Ligand-Target Pair
Group X secretory phospholipase A2 (Homo sapiens (Human))	BDBM50004499 ((R)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Group VII phospholipase A2 (Sus scrofa)	BDBM50004499 ((R)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m1/s1	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50004499 ((R)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay				J Med Chem 35: 2939-51 (1992) BindingDB Entry DOI: 10.7270/Q2RF5T0R
					More data for this Ligand-Target Pair