BDBM50055415 Bis[5-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]2,4-dimethoxy-36-dimethylphenyl]methane::CHEMBL341607

SMILES: COc1c(C)c(OC)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(C)c1Cc1c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c(C)c1OC

InChI Key: InChIKey=BOYRSTXKECOJFK-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 = 50055415   

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)	BDBM50055415 (Bis[5-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy...) Show SMILES COc1c(C)c(OC)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(C)c1Cc1c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c(C)c1OC Show InChI InChI=1S/C45H52O14/c1-18-20(3)34(24(7)38(54-13)30(18)42(46)47)58-44(50)32-22(5)28(36(52-11)26(9)40(32)56-15)17-29-23(6)33(41(57-16)27(10)37(29)53-12)45(51)59-35-21(4)19(2)31(43(48)49)39(55-14)25(35)8/h17H2,1-16H3,(H,46,47)(H,48,49)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+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))	BDBM50055415 (Bis[5-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy...) Show SMILES COc1c(C)c(OC)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(C)c1Cc1c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c(C)c1OC Show InChI InChI=1S/C45H52O14/c1-18-20(3)34(24(7)38(54-13)30(18)42(46)47)58-44(50)32-22(5)28(36(52-11)26(9)40(32)56-15)17-29-23(6)33(41(57-16)27(10)37(29)53-12)45(51)59-35-21(4)19(2)31(43(48)49)39(55-14)25(35)8/h17H2,1-16H3,(H,46,47)(H,48,49)	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	2.80E+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
Phospholipase A2 (Homo sapiens (Human))	BDBM50055415 (Bis[5-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy...) Show SMILES COc1c(C)c(OC)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(C)c1Cc1c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c(C)c1OC Show InChI InChI=1S/C45H52O14/c1-18-20(3)34(24(7)38(54-13)30(18)42(46)47)58-44(50)32-22(5)28(36(52-11)26(9)40(32)56-15)17-29-23(6)33(41(57-16)27(10)37(29)53-12)45(51)59-35-21(4)19(2)31(43(48)49)39(55-14)25(35)8/h17H2,1-16H3,(H,46,47)(H,48,49)	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	9.00E+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