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PubMed code 27509358

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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
Pancreatic alpha-amylase


(Sus scrofa (Pig))		BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 2.63E+4n/an/an/an/an/an/a



Universit£ degli Studi della Basilicata

Curated by ChEMBL


Assay Description
Inhibition of hog pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ...

J Nat Prod 79: 2104-12 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00484
BindingDB Entry DOI: 10.7270/Q2QN68R4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))		BDBM50202632
PNG
(CHEMBL460030)
Show SMILES [H][C@]12[C@@H](O)C=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |r,c:30,t:4|
Show InChI InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
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n/an/a 6.94E+4n/an/an/an/an/an/a



Universit£ degli Studi della Basilicata

Curated by ChEMBL


Assay Description
Inhibition of hog pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ...

J Nat Prod 79: 2104-12 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00484
BindingDB Entry DOI: 10.7270/Q2QN68R4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))		BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/a 7.39E+4n/an/an/an/an/an/a



Universit£ degli Studi della Basilicata

Curated by ChEMBL


Assay Description
Inhibition of hog pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ...

J Nat Prod 79: 2104-12 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00484
BindingDB Entry DOI: 10.7270/Q2QN68R4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%