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BDBM50185346 1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-6-carboxylic acid::1-[3-(4-octylphenoxy)-2-oxopropyl]indole-6-carboxylic acid::CHEMBL205941

SMILES: CCCCCCCCc1ccc(OCC(=O)Cn2ccc3ccc(cc23)C(O)=O)cc1

InChI Key: InChIKey=YRYOEVQZRFTJRH-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50185346   
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))
BDBM50185346
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-6-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-13-24(14-10-20)31-19-23(28)18-27-16-15-21-11-12-22(26(29)30)17-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/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
cPLA2 C2


(Homo sapiens (Human))
BDBM50185346
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-6-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-13-24(14-10-20)31-19-23(28)18-27-16-15-21-11-12-22(26(29)30)17-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 in human platelets assessed as arachidonic acid release


Bioorg Med Chem Lett 19: 2107-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.019
BindingDB Entry DOI: 10.7270/Q26H4JB8
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185346
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-6-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-13-24(14-10-20)31-19-23(28)18-27-16-15-21-11-12-22(26(29)30)17-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185346
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-6-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-13-24(14-10-20)31-19-23(28)18-27-16-15-21-11-12-22(26(29)30)17-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+3n/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