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BDBM50185350 1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-5-carboxylic acid::1-[3-(4-decyloxyphenoxy)-2-oxopropyl]indole-5-carboxylic acid::CHEMBL208401

SMILES: CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1

InChI Key: InChIKey=JPGAELIQPGNZNB-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50185350   
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
cPLA2 C2


(Homo sapiens (human))
BDBM50185350
PNG
(1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H35NO5/c1-2-3-4-5-6-7-8-9-18-33-25-11-13-26(14-12-25)34-21-24(30)20-29-17-16-22-19-23(28(31)32)10-15-27(22)29/h10-17,19H,2-9,18,20-21H2,1H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (human))
BDBM50185350
PNG
(1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H35NO5/c1-2-3-4-5-6-7-8-9-18-33-25-11-13-26(14-12-25)34-21-24(30)20-29-17-16-22-19-23(28(31)32)10-15-27(22)29/h10-17,19H,2-9,18,20-21H2,1H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (human))
BDBM50185350
PNG
(1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H35NO5/c1-2-3-4-5-6-7-8-9-18-33-25-11-13-26(14-12-25)34-21-24(30)20-29-17-16-22-19-23(28(31)32)10-15-27(22)29/h10-17,19H,2-9,18,20-21H2,1H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair