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BDBM50292377 3-O-beta-D-glucuronopyranosyl-2beta,16alpha-dihydroxyolean-12-ene-23,28-dioc acid 28-O-alpha-L-rhamnopyranosyl(1->2)-alpha-L-rhamnopyranoside::CHEMBL450111::zanhasaponin A

InChI string: InChI=1S/C48H74O21/c1-18-26(51)28(53)32(57)38(64-18)67-35-30(55)27(52)19(2)65-40(35)69-42(63)48-14-13-43(3,4)15-21(48)20-9-10-23-44(5)16-22(49)36(68-39-33(58)29(54)31(56)34(66-39)37(59)60)47(8,41(61)62)24(44)11-12-45(23,6)46(20,7)17-25(48)50/h9,18-19,21-36,38-40,49-58H,10-17H2,1-8H3,(H,59,60)(H,61,62)/t18-,19-,21-,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32+,33+,34-,35+,36-,38-,39-,40-,44+,45+,46+,47-,48+/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](O)[C@H]1O

InChI Key: InChIKey=FOVJATQXFPGIBQ-MERMWVLUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292377   
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)
BDBM50292377
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](O)[C@H]1O
Show InChI InChI=1S/C48H74O21/c1-18-26(51)28(53)32(57)38(64-18)67-35-30(55)27(52)19(2)65-40(35)69-42(63)48-14-13-43(3,4)15-21(48)20-9-10-23-44(5)16-22(49)36(68-39-33(58)29(54)31(56)34(66-39)37(59)60)47(8,41(61)62)24(44)11-12-45(23,6)46(20,7)17-25(48)50/h9,18-19,21-36,38-40,49-58H,10-17H2,1-8H3,(H,59,60)(H,61,62)/t18-,19-,21-,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32+,33+,34-,35+,36-,38-,39-,40-,44+,45+,46+,47-,48+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.70E+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