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BDBM50292379 3-O-beta-D-glucuronopyranosyl-2beta,16alpha-dihydroxyolean-12-ene-23,28-dioc acid 28-O-beta-D-xylopyranosyl(1->2)-alpha-L-rhamnopyranosyl(1->2)-alpha-L-rhamnopyranoside::CHEMBL443894::zanhasaponin B

InChI string: InChI=1S/C53H82O25/c1-19-28(57)32(61)38(75-42-35(64)30(59)24(55)18-71-42)44(72-19)76-39-33(62)29(58)20(2)73-45(39)78-47(70)53-14-13-48(3,4)15-22(53)21-9-10-25-49(5)16-23(54)40(77-43-36(65)31(60)34(63)37(74-43)41(66)67)52(8,46(68)69)26(49)11-12-50(25,6)51(21,7)17-27(53)56/h9,19-20,22-40,42-45,54-65H,10-18H2,1-8H3,(H,66,67)(H,68,69)/t19-,20-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,42-,43-,44-,45-,49+,50+,51+,52-,53+/m0/s1

SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)([C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)C(O)=O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI Key: InChIKey=AOIMXJGQCIOVFI-LIPHUQLUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292379   
Target
(Institution)
LigandTarget
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, acidic


(Naja naja)
BDBM50292379
PNG
(3-O-beta-D-glucuronopyranosyl-2beta,16alpha-dihydr...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)([C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)C(O)=O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C53H82O25/c1-19-28(57)32(61)38(75-42-35(64)30(59)24(55)18-71-42)44(72-19)76-39-33(62)29(58)20(2)73-45(39)78-47(70)53-14-13-48(3,4)15-22(53)21-9-10-25-49(5)16-23(54)40(77-43-36(65)31(60)34(63)37(74-43)41(66)67)52(8,46(68)69)26(49)11-12-50(25,6)51(21,7)17-27(53)56/h9,19-20,22-40,42-45,54-65H,10-18H2,1-8H3,(H,66,67)(H,68,69)/t19-,20-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,42-,43-,44-,45-,49+,50+,51+,52-,53+/m0/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 4.40E+5n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of Naja Naja PLA2


J Nat Prod 60: 1158-60 (1998)

More data for this
Ligand-Target Pair