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BDBM50185357 1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-carbaldehyde::1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-carbaldehyde::CHEMBL409321

SMILES: CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(C=O)ccc23)cc1

InChI Key: InChIKey=SPULLVSMHOMOCO-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50185357   
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))
BDBM50185357
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(C=O)ccc23)cc1
Show InChI InChI=1S/C26H31NO3/c1-2-3-4-5-6-7-8-21-9-12-25(13-10-21)30-20-24(29)18-27-16-15-23-17-22(19-28)11-14-26(23)27/h9-17,19H,2-8,18,20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30E+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))
BDBM50185357
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(C=O)ccc23)cc1
Show InChI InChI=1S/C26H31NO3/c1-2-3-4-5-6-7-8-21-9-12-25(13-10-21)30-20-24(29)18-27-16-15-23-17-22(19-28)11-14-26(23)27/h9-17,19H,2-8,18,20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30E+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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185357
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(C=O)ccc23)cc1
Show InChI InChI=1S/C26H31NO3/c1-2-3-4-5-6-7-8-21-9-12-25(13-10-21)30-20-24(29)18-27-16-15-23-17-22(19-28)11-14-26(23)27/h9-17,19H,2-8,18,20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH from rat brain microsomes 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))
BDBM50185357
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(C=O)ccc23)cc1
Show InChI InChI=1S/C26H31NO3/c1-2-3-4-5-6-7-8-21-9-12-25(13-10-21)30-20-24(29)18-27-16-15-23-17-22(19-28)11-14-26(23)27/h9-17,19H,2-8,18,20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.90E+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