BindingDB logo
myBDB logout

BDBM50055431 Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-triimethylphenoxy]carbonyl]-4-methoxyphenyl]ether::CHEMBL409657

SMILES: COc1ccc(Oc2ccc(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=DVXQBCRUUBQFJH-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 = 50055431   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055431
PNG
(Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES COc1ccc(Oc2ccc(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/C60H62O19/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)78-59(67)45-27(3)31(7)47(35(11)53(45)73-17)76-57(65)39-23-37(19-21-41(39)69-13)75-38-20-22-42(70-14)40(24-38)58(66)77-48-32(8)28(4)46(54(74-18)36(48)12)60(68)79-50-30(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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/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 group IIA


(Rattus norvegicus)
BDBM50055431
PNG
(Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES COc1ccc(Oc2ccc(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/C60H62O19/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)78-59(67)45-27(3)31(7)47(35(11)53(45)73-17)76-57(65)39-23-37(19-21-41(39)69-13)75-38-20-22-42(70-14)40(24-38)58(66)77-48-32(8)28(4)46(54(74-18)36(48)12)60(68)79-50-30(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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/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))
BDBM50055431
PNG
(Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES COc1ccc(Oc2ccc(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/C60H62O19/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)78-59(67)45-27(3)31(7)47(35(11)53(45)73-17)76-57(65)39-23-37(19-21-41(39)69-13)75-38-20-22-42(70-14)40(24-38)58(66)77-48-32(8)28(4)46(54(74-18)36(48)12)60(68)79-50-30(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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+6n/an/an/an/an/an/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