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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospholipase A2, acidic' and Ligand = 'BDBM50292363'   
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, acidic


(Naja naja)
BDBM50292363
PNG
(CHEMBL468034 | Pachymic acid)
Show SMILES CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
Show InChI InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.90E+6n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of snake venom phospholipase A2 assessed as oxygen consumption for 3 mins


J Nat Prod 59: 977-9 (1997)

More data for this
Ligand-Target Pair