BDBM50274444 (--)-1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[(2S,4S)-7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-yl]-phenyl}-dodecan-1-one::CHEMBL448124

SMILES: CCCCCCCCCCCC(=O)c1c(O)c([C@H]2C[C@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O

InChI Key: InChIKey=CEJAYJCUSZHYDS-LFGICVIVSA-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 = 50274444   

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 group IIA (Rattus norvegicus)	BDBM50274444 ((--)-1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[(2S,4S)-7...) Show SMILES CCCCCCCCCCCC(=O)c1c(O)c([C@H]2C[C@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O |r| Show InChI InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3/t35-,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of rat sPLA2 group 2A				Bioorg Med Chem Lett 18: 5415-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.041 BindingDB Entry DOI: 10.7270/Q2CJ8DB1
					More data for this Ligand-Target Pair