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BDBM50447857 AESCULTITANNIN B::Aescultitannin B

SMILES: O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@@H](Oc4c3c(O)cc3O[C@@]5(Oc6cc(O)cc(O)c6[C@@H]([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1

InChI Key: InChIKey=BYSRPHRKESMCPO-XDJXAWJCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50447857   
Target/Host
(Institution)		LigandTarget/Host
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
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))		BDBM50447857
PNG
(AESCULTITANNIN B | Aescultitannin B)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@@H](Oc4c3c(O)cc3O[C@@]5(Oc6cc(O)cc(O)c6[C@@H]([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r,TLB:15:35:33:23.31.24,THB:19:20:33:23.31.24|
Show InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1
UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 4.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...

Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair