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2 similar compounds to monomer 50277798

Compile data set for download or QSAR
Wt: 423.5
BDBM50277799
Wt: 379.4
BDBM50308972

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50277799,50308972   
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))
BDBM50277799
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-benzo[d][1,2...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-5-6-7-8-18-9-12-21(13-10-18)31-17-20(28)16-27-23-15-19(24(29)30)11-14-22(23)25-26-27/h9-15H,2-8,16-17H2,1H3,(H,29,30)
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Article
PubMed
n/an/a 16n/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))
BDBM50308972
PNG
(1-Benzotriazol-1-yl-3-(4-octylphenoxy)propan-2-one...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3ccccc23)cc1
Show InChI InChI=1S/C23H29N3O2/c1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)28-18-20(27)17-26-23-12-9-8-11-22(23)24-25-26/h8-9,11-16H,2-7,10,17-18H2,1H3
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PC sid
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Article
PubMed
n/an/a 47n/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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50308972
PNG
(1-Benzotriazol-1-yl-3-(4-octylphenoxy)propan-2-one...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3ccccc23)cc1
Show InChI InChI=1S/C23H29N3O2/c1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)28-18-20(27)17-26-23-12-9-8-11-22(23)24-25-26/h8-9,11-16H,2-7,10,17-18H2,1H3
PDB
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UniChem

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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate after 60 mins by fluorescence-based reversed ...


Bioorg Med Chem 25: 825-837 (2017)


Article DOI: 10.1016/j.bmc.2016.11.025
BindingDB Entry DOI: 10.7270/Q20C4XQH
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50308972
PNG
(1-Benzotriazol-1-yl-3-(4-octylphenoxy)propan-2-one...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3ccccc23)cc1
Show InChI InChI=1S/C23H29N3O2/c1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)28-18-20(27)17-26-23-12-9-8-11-22(23)24-25-26/h8-9,11-16H,2-7,10,17-18H2,1H3
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Article
PubMed
n/an/a 2.20E+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))
BDBM50277799
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-benzo[d][1,2...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-5-6-7-8-18-9-12-21(13-10-18)31-17-20(28)16-27-23-15-19(24(29)30)11-14-22(23)25-26-27/h9-15H,2-8,16-17H2,1H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 16n/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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50277799
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-benzo[d][1,2...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-5-6-7-8-18-9-12-21(13-10-18)31-17-20(28)16-27-23-15-19(24(29)30)11-14-22(23)25-26-27/h9-15H,2-8,16-17H2,1H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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