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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2 alpha'   
Target
(Institution)
LigandTarget
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 alpha


(Crotalus adamanteus)
BDBM50250399
PNG
(5-Hydroxy-4-{(R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,...)
Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



UMR 5154 CNRS

Curated by ChEMBL


Assay Description
Inhibition of Crotalus adamanteus venom phospholipase A2 by fluorometric assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 alpha


(Crotalus adamanteus)
BDBM50250398
PNG
(CHEMBL465767 | hyrtiosulawesine)
Show SMILES Oc1ccc2[nH]cc(C(=O)c3nccc4c3[nH]c3ccc(O)cc43)c2c1
Show InChI InChI=1S/C20H13N3O3/c24-10-1-3-16-14(8-10)15(9-22-16)20(26)19-18-12(5-6-21-19)13-7-11(25)2-4-17(13)23-18/h1-9,22-25H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



UMR 5154 CNRS

Curated by ChEMBL


Assay Description
Inhibition of Crotalus adamanteus venom phospholipase A2 by fluorometric assay


Citation and Details
More data for this
Ligand-Target Pair