BindingDB logo
myBDB logout

PubMed code 26214255

Compile data set for download or QSAR
Found 11 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


(Homo sapiens (Human))		BDBM163646
PNG
(Montbretin A (MbA))
Show SMILES CC1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@@H](O[C@@H]2OC(COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)C(O)[C@@H]2O)C(O)[C@H]1O |r|
Show InChI InChI=1S/C36H36O20/c1-12-25(44)30(49)34(56-35-31(50)29(48)27(46)22(54-35)11-51-23(43)5-3-13-2-4-16(38)17(39)6-13)36(52-12)55-33-28(47)24-18(40)9-15(37)10-21(24)53-32(33)14-7-19(41)26(45)20(42)8-14/h2-10,12,22,25,27,29-31,34-42,44-46,48-50H,11H2,1H3/b5-3+/t12?,22?,25-,27+,29?,30?,31-,34-,35-,36-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.10 -47.0n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163647
PNG
(MbA-G (1))
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3c(O)cc(cc3O)-c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](COC(=O)\C=C\c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C47H54O28/c1-14-29(55)34(60)38(64)45(68-14)71-26-13-67-44(37(63)32(26)58)73-41-22(52)8-17(9-23(41)53)40-42(33(59)28-21(51)10-18(48)11-24(28)70-40)74-47-43(36(62)30(56)15(2)69-47)75-46-39(65)35(61)31(57)25(72-46)12-66-27(54)6-4-16-3-5-19(49)20(50)7-16/h3-11,14-15,25-26,29-32,34-39,43-53,55-58,60-65H,12-13H2,1-2H3/b6-4+/t14-,15-,25+,26+,29-,30-,31+,32-,34+,35-,36+,37+,38+,39+,43+,44-,45-,46-,47-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.10 -46.7n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163648
PNG
(MbA-R (2))
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C47H54O29/c1-14-29(57)35(63)42(76-47-43(75-45-38(66)34(62)31(59)25(11-48)71-45)36(64)32(60)26(72-47)13-67-27(56)5-3-15-2-4-18(50)19(51)6-15)46(69-14)74-41-33(61)28-20(52)9-17(49)10-24(28)70-39(41)16-7-21(53)40(22(54)8-16)73-44-37(65)30(58)23(55)12-68-44/h2-10,14,23,25-26,29-32,34-38,42-55,57-60,62-66H,11-13H2,1H3/b5-3+/t14-,23+,25+,26+,29-,30-,31+,32+,34-,35+,36-,37+,38+,42+,43+,44-,45-,46-,47-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 21.3 -44.5n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163649
PNG
(MbA-RX (3))
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C42H46O25/c1-13-27(51)33(57)38(41(61-13)65-37-31(55)26-19(47)9-16(44)10-22(26)62-36(37)15-7-20(48)28(52)21(49)8-15)67-42-39(66-40-35(59)32(56)29(53)23(11-43)63-40)34(58)30(54)24(64-42)12-60-25(50)5-3-14-2-4-17(45)18(46)6-14/h2-10,13,23-24,27,29-30,32-35,38-49,51-54,56-59H,11-12H2,1H3/b5-3+/t13-,23+,24+,27-,29+,30+,32-,33+,34-,35+,38+,39+,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 42.4 -42.8n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163650
PNG
(MbA-GR (4))
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C41H44O24/c1-13-27(50)32(55)38(65-40-34(57)31(54)29(52)24(62-40)12-58-25(49)5-3-14-2-4-17(43)18(44)6-14)41(60-13)64-37-30(53)26-19(45)9-16(42)10-23(26)61-35(37)15-7-20(46)36(21(47)8-15)63-39-33(56)28(51)22(48)11-59-39/h2-10,13,22,24,27-29,31-34,38-48,50-52,54-57H,11-12H2,1H3/b5-3+/t13-,22+,24+,27-,28-,29+,31-,32+,33+,34+,38+,39-,40-,41-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 79.3 -41.2n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163651
PNG
(MbA-GRX (5) | mini-MbA)
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C36H36O20/c1-12-25(44)30(49)34(56-35-31(50)29(48)27(46)22(54-35)11-51-23(43)5-3-13-2-4-16(38)17(39)6-13)36(52-12)55-33-28(47)24-18(40)9-15(37)10-21(24)53-32(33)14-7-19(41)26(45)20(42)8-14/h2-10,12,22,25,27,29-31,34-42,44-46,48-50H,11H2,1H3/b5-3+/t12-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 93.3 -40.8n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163652
PNG
(MbA-C (6))
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3c(O)cc(cc3O)-c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C44H58O30/c1-10-22(51)28(57)33(62)41(65-10)70-20-9-64-40(32(61)26(20)55)71-36-15(49)3-12(4-16(36)50)35-37(27(56)21-14(48)5-13(47)6-17(21)67-35)72-43-38(30(59)23(52)11(2)66-43)74-44-39(31(60)25(54)19(8-46)69-44)73-42-34(63)29(58)24(53)18(7-45)68-42/h3-6,10-11,18-20,22-26,28-34,38-55,57-63H,7-9H2,1-2H3/t10-,11-,18+,19+,20+,22-,23-,24+,25+,26-,28+,29-,30+,31-,32+,33+,34+,38+,39+,40-,41-,42-,43-,44-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 730 -35.6n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163653
PNG
(MbA-CG (7))
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3c(O)cc(cc3O)-c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C38H48O25/c1-9-20(44)25(49)29(53)36(56-9)60-18-8-55-35(28(52)23(18)47)61-32-14(42)3-11(4-15(32)43)31-33(24(48)19-13(41)5-12(40)6-16(19)58-31)62-38-34(27(51)21(45)10(2)57-38)63-37-30(54)26(50)22(46)17(7-39)59-37/h3-6,9-10,17-18,20-23,25-30,34-47,49-54H,7-8H2,1-2H3/t9-,10-,17+,18+,20-,21-,22+,23-,25+,26-,27+,28+,29+,30+,34+,35-,36-,37-,38-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.24E+3 -32.8n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163656
PNG
(3-O-(6-(4-(Caffeamidomethyl)-triazolyl)hexyl)querc...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OCCCCCCn1cc(CNC(=O)\C=C\c3ccc(O)c(O)c3)nn1)c2=O
Show InChI InChI=1S/C33H32N4O10/c38-22-15-27(43)30-28(16-22)47-32(20-7-9-24(40)26(42)14-20)33(31(30)45)46-12-4-2-1-3-11-37-18-21(35-36-37)17-34-29(44)10-6-19-5-8-23(39)25(41)13-19/h5-10,13-16,18,38-43H,1-4,11-12,17H2,(H,34,44)/b10-6+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.39E+4 -28.2n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163654
PNG
(MbA-CR (8))
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C38H48O26/c1-9-20(46)26(52)33(64-38-34(27(53)23(49)18(7-40)60-38)63-36-29(55)25(51)22(48)17(6-39)59-36)37(57-9)62-32-24(50)19-12(42)4-11(41)5-16(19)58-30(32)10-2-13(43)31(14(44)3-10)61-35-28(54)21(47)15(45)8-56-35/h2-5,9,15,17-18,20-23,25-29,33-49,51-55H,6-8H2,1H3/t9-,15+,17+,18+,20-,21-,22+,23+,25-,26+,27-,28+,29+,33+,34+,35-,36-,37-,38-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.68E+4 -25.1n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM163655
PNG
(MbA-CGR (9))
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C32H38O21/c1-8-18(39)23(44)29(53-31-25(46)22(43)20(41)16(6-33)50-31)32(48-8)52-28-21(42)17-11(35)4-10(34)5-15(17)49-26(28)9-2-12(36)27(13(37)3-9)51-30-24(45)19(40)14(38)7-47-30/h2-5,8,14,16,18-20,22-25,29-41,43-46H,6-7H2,1H3/t8-,14+,16+,18-,19-,20+,22-,23+,24+,25+,29+,30-,31-,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.28E+5 -22.6n/an/an/an/an/an/a30



University of British Columbia



Assay Description
Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor...

Nat Chem Biol 11: 691-6 (2015)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q2KD1WP4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%