BDBM50055411 Bis[5-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)-carbonyl]-3-hydroxy-2,5,6-trimethylphenoxy]carbonyl]-2,4-dihydroxy-3,6-dimethylphenyl]methane::CHEMBL444642

SMILES: CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(=O)C(C(O)=O)C(C)=C6C)c(O)c5C)c(O)c(C)c4O)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O

InChI Key: InChIKey=YPQBZWDYVIXYAS-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 = 50055411   

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)	BDBM50055411 (Bis[5-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...) Show SMILES CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(=O)C(C(O)=O)C(C)=C6C)c(O)c5C)c(O)c(C)c4O)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O |c:46,t:75| Show InChI InChI=1S/C59H64O20/c1-18-22(5)50(30(13)46(64)36(18)54(68)69)76-56(72)38-20(3)24(7)52(32(15)48(38)66)78-58(74)40-26(9)34(42(60)28(11)44(40)62)17-35-27(10)41(45(63)29(12)43(35)61)59(75)79-53-25(8)21(4)39(49(67)33(53)16)57(73)77-51-23(6)19(2)37(55(70)71)47(65)31(51)14/h30-31,36-37,50-51,60-63,66-67H,17H2,1-16H3,(H,68,69)(H,70,71)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+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 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 (Homo sapiens (Human))	BDBM50055411 (Bis[5-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...) Show SMILES CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(=O)C(C(O)=O)C(C)=C6C)c(O)c5C)c(O)c(C)c4O)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O |c:46,t:75| Show InChI InChI=1S/C59H64O20/c1-18-22(5)50(30(13)46(64)36(18)54(68)69)76-56(72)38-20(3)24(7)52(32(15)48(38)66)78-58(74)40-26(9)34(42(60)28(11)44(40)62)17-35-27(10)41(45(63)29(12)43(35)61)59(75)79-53-25(8)21(4)39(49(67)33(53)16)57(73)77-51-23(6)19(2)37(55(70)71)47(65)31(51)14/h30-31,36-37,50-51,60-63,66-67H,17H2,1-16H3,(H,68,69)(H,70,71)	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, membrane associated (Homo sapiens (Human))	BDBM50055411 (Bis[5-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...) Show SMILES CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(=O)C(C(O)=O)C(C)=C6C)c(O)c5C)c(O)c(C)c4O)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O |c:46,t:75| Show InChI InChI=1S/C59H64O20/c1-18-22(5)50(30(13)46(64)36(18)54(68)69)76-56(72)38-20(3)24(7)52(32(15)48(38)66)78-58(74)40-26(9)34(42(60)28(11)44(40)62)17-35-27(10)41(45(63)29(12)43(35)61)59(75)79-53-25(8)21(4)39(49(67)33(53)16)57(73)77-51-23(6)19(2)37(55(70)71)47(65)31(51)14/h30-31,36-37,50-51,60-63,66-67H,17H2,1-16H3,(H,68,69)(H,70,71)	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	2.40E+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