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BDBM50274337 1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-dodecan-1-one::CHEMBL485601

SMILES: CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O

InChI Key: InChIKey=BVIACUNLZKXFJC-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50274337   
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))
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 690n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 2A


Bioorg Med Chem Lett 18: 5415-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.041
BindingDB Entry DOI: 10.7270/Q2CJ8DB1
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Mus musculus)
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
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PC sid
UniChem

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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse sPLA2 group 2A


Bioorg Med Chem Lett 18: 5415-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.041
BindingDB Entry DOI: 10.7270/Q2CJ8DB1
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Bioorg Med Chem Lett 18: 5415-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.041
BindingDB Entry DOI: 10.7270/Q2CJ8DB1
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Mus musculus)
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
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PubMed
n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse sPLA2 group 10


Bioorg Med Chem Lett 18: 5415-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.041
BindingDB Entry DOI: 10.7270/Q2CJ8DB1
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Mus musculus)
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse sPLA2 group 5


Bioorg Med Chem Lett 18: 5415-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.041
BindingDB Entry DOI: 10.7270/Q2CJ8DB1
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens (Human))
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
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Article
PubMed
n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 10


Bioorg Med Chem Lett 18: 5415-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.041
BindingDB Entry DOI: 10.7270/Q2CJ8DB1
More data for this
Ligand-Target Pair
Secretory phospholipase A2, group V (sPLA2-V)


(Homo sapiens (Human))
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 5


Bioorg Med Chem Lett 18: 5415-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.041
BindingDB Entry DOI: 10.7270/Q2CJ8DB1
More data for this
Ligand-Target Pair