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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2, major isoenzyme' and Ligand = 'BDBM23771'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM23771
PNG
((3-{[1-benzyl-3-(carbamoylmethyl)-2-ethyl-1H-indol...)
Show SMILES CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H27N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28)
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MCE
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Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Universite Paris 7-Denis Diderot



Assay Description
PLA2 activity is by using the fluorescent phospholipid analogue as the substrate. The increase in fluorescence (ex @342 nm and em@388 nm) of the enzy...


Bioorg Med Chem 16: 1242-53 (2008)


Article DOI: 10.1016/j.bmc.2007.10.077
BindingDB Entry DOI: 10.7270/Q2J964PK
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM23771
PNG
((3-{[1-benzyl-3-(carbamoylmethyl)-2-ethyl-1H-indol...)
Show SMILES CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H27N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ Paris Diderot

Curated by ChEMBL


Assay Description
Inhibition of porcine group 1B phospholipase A2 by fluorimetric assay


Bioorg Med Chem 18: 3588-600 (2010)


Article DOI: 10.1016/j.bmc.2010.03.049
BindingDB Entry DOI: 10.7270/Q2ZG6SD9
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM23771
PNG
((3-{[1-benzyl-3-(carbamoylmethyl)-2-ethyl-1H-indol...)
Show SMILES CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H27N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of pig group IB PLA2 by fluorimetric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair