Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM50055418'   

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
Phospholipase A2 (Homo sapiens (Human))	BDBM50055418 (4-Oxo-4H-pyran-2,6-dicarboxylic acid bis-[4-(4-car...) Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3cc(=O)cc(o3)C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O Show InChI InChI=1S/C51H52O18/c1-19-23(5)40(27(9)42(61-13)34(19)46(53)54)68-50(59)36-21(3)25(7)38(29(11)44(36)63-15)66-48(57)32-17-31(52)18-33(65-32)49(58)67-39-26(8)22(4)37(45(64-16)30(39)12)51(60)69-41-24(6)20(2)35(47(55)56)43(62-14)28(41)10/h17-18H,1-16H3,(H,53,54)(H,55,56)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant secretory Phospholipase A2 (group I).				J Med Chem 39: 5183-91 (1997) Article DOI: 10.1021/jm960437a BindingDB Entry DOI: 10.7270/Q2K64JQH
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