Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 465.5 BDBM50185352

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185352 (1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-3,5-d...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(O)=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H31NO6/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)34-18-21(29)16-28-17-24(27(32)33)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185352 (1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-3,5-d...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(O)=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H31NO6/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)34-18-21(29)16-28-17-24(27(32)33)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	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
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185352 (1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-3,5-d...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(O)=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H31NO6/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)34-18-21(29)16-28-17-24(27(32)33)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185352 (1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-3,5-d...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(O)=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H31NO6/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)34-18-21(29)16-28-17-24(27(32)33)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair