BDBM50055428 3-carboxy-4-methoxyphenyl-3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-triimethylphenoxy]carbonyl]-4-methoxyphenyl sulfide::CHEMBL345972

SMILES: COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1

InChI Key: InChIKey=VVHGYSDCEPSLRU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50055428   

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 (Homo sapiens (Human))	BDBM50055428 (3-carboxy-4-methoxyphenyl-3-[[4-[(4-carboxy-3-meth...) Show SMILES COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1 Show InChI InChI=1S/C37H38O10S/c1-18-20(3)32(22(5)33(44-9)29(18)35(38)39)47-37(41)30-19(2)21(4)31(23(6)34(30)45-10)46-36(40)27-17-26(15-16-28(27)43-8)48-25-13-11-24(42-7)12-14-25/h11-17H,1-10H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
					More data for this Ligand-Target Pair
Phospholipase A2 group IIA (Rattus norvegicus)	BDBM50055428 (3-carboxy-4-methoxyphenyl-3-[[4-[(4-carboxy-3-meth...) Show SMILES COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1 Show InChI InChI=1S/C37H38O10S/c1-18-20(3)32(22(5)33(44-9)29(18)35(38)39)47-37(41)30-19(2)21(4)31(23(6)34(30)45-10)46-36(40)27-17-26(15-16-28(27)43-8)48-25-13-11-24(42-7)12-14-25/h11-17H,1-10H3,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of rat secretory Phospholipase A2 (group II).				J Med Chem 39: 5183-91 (1997) Article DOI: 10.1021/jm960437a BindingDB Entry DOI: 10.7270/Q2K64JQH
					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50055428 (3-carboxy-4-methoxyphenyl-3-[[4-[(4-carboxy-3-meth...) Show SMILES COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1 Show InChI InChI=1S/C37H38O10S/c1-18-20(3)32(22(5)33(44-9)29(18)35(38)39)47-37(41)30-19(2)21(4)31(23(6)34(30)45-10)46-36(40)27-17-26(15-16-28(27)43-8)48-25-13-11-24(42-7)12-14-25/h11-17H,1-10H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+6	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 II).				J Med Chem 39: 5183-91 (1997) Article DOI: 10.1021/jm960437a BindingDB Entry DOI: 10.7270/Q2K64JQH
					More data for this Ligand-Target Pair