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PDB code 1DB4

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
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, membrane associated

  (124/124 = 100%)
(Homo sapiens (Human))
BDBM50055341
PNG
(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
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n/an/a 57n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human non-pancreatic secretory phospholipase A2 (PLA2) in a chromogenic assay


J Med Chem 39: 5137-58 (1997)


Article DOI: 10.1021/jm960486n
BindingDB Entry DOI: 10.7270/Q2639NV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phospholipase A2, membrane associated

  (124/124 = 100%)
(Homo sapiens (Human))
BDBM50055341
PNG
(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
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Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic Phospholipase A2


J Med Chem 39: 5137-58 (1997)


Article DOI: 10.1021/jm960486n
BindingDB Entry DOI: 10.7270/Q2639NV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phospholipase A2, membrane associated

  (124/124 = 100%)
(Homo sapiens (Human))
BDBM50055341
PNG
(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human pancreatic Phospholipase A2


J Med Chem 39: 5137-58 (1997)


Article DOI: 10.1021/jm960486n
BindingDB Entry DOI: 10.7270/Q2639NV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output