BDBM50055433 Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)-carbonyl]-3-methoxy-2,5,6-triimethylphenoxy]carbonyl]-4-methoxyphenyl]sulphide::CHEMBL264973

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)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C

InChI Key: InChIKey=JRDKTZSLXIDCDG-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 = 50055433   

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))	BDBM50055433 (Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...) 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)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C Show InChI InChI=1S/C60H62O18S/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)77-59(67)45-27(3)31(7)47(35(11)53(45)73-17)75-57(65)39-23-37(19-21-41(39)69-13)79-38-20-22-42(70-14)40(24-38)58(66)76-48-32(8)28(4)46(54(74-18)36(48)12)60(68)78-50-30(6)26(2)44(56(63)64)52(72-16)34(50)10/h19-24H,1-18H3,(H,61,62)(H,63,64)	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	5.50E+7	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)	BDBM50055433 (Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...) 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)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C Show InChI InChI=1S/C60H62O18S/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)77-59(67)45-27(3)31(7)47(35(11)53(45)73-17)75-57(65)39-23-37(19-21-41(39)69-13)79-38-20-22-42(70-14)40(24-38)58(66)76-48-32(8)28(4)46(54(74-18)36(48)12)60(68)78-50-30(6)26(2)44(56(63)64)52(72-16)34(50)10/h19-24H,1-18H3,(H,61,62)(H,63,64)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	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))	BDBM50055433 (Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...) 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)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C Show InChI InChI=1S/C60H62O18S/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)77-59(67)45-27(3)31(7)47(35(11)53(45)73-17)75-57(65)39-23-37(19-21-41(39)69-13)79-38-20-22-42(70-14)40(24-38)58(66)76-48-32(8)28(4)46(54(74-18)36(48)12)60(68)78-50-30(6)26(2)44(56(63)64)52(72-16)34(50)10/h19-24H,1-18H3,(H,61,62)(H,63,64)	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	1.30E+5	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