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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 217.1
BDBM48020
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Wt: 196.2
BDBM64173
Wt: 188.2
BDBM64943
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Wt: 225.2
BDBM67345
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Wt: 166.1
BDBM67297
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Wt: 191.2
BDBM67248
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Wt: 229.2
BDBM67256
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Wt: 226.3
BDBM67262
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Wt: 230.2
BDBM67263
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Wt: 220.0
BDBM67191
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Wt: 192.1
BDBM50171923
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Wt: 207.2
BDBM50242271
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Wt: 168.1
BDBM269858
Wt: 224.6
BDBM270110
Wt: 227.2
BDBM269791
Displayed 1 to 15 (of 1494 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 69 hits in this display   
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
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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460n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal maltase by Lineweaver-Burk plot analysis


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50171923
PNG
(1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...)
Show SMILES OC(C(=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
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>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA


J Med Chem 48: 5543-50 (2005)


Article DOI: 10.1021/jm0504196
BindingDB Entry DOI: 10.7270/Q2FB52G3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50171923
PNG
(1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...)
Show SMILES OC(C(=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
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>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase


J Med Chem 48: 5543-50 (2005)


Article DOI: 10.1021/jm0504196
BindingDB Entry DOI: 10.7270/Q2FB52G3
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 10 mM p-nitrophenyl-beta-D-galactopyranoside as substrate


J Med Chem 58: 7820-32 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00951
BindingDB Entry DOI: 10.7270/Q2G73GKX
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50171923
PNG
(1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...)
Show SMILES OC(C(=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
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>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA


J Med Chem 48: 5543-50 (2005)


Article DOI: 10.1021/jm0504196
BindingDB Entry DOI: 10.7270/Q2FB52G3
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal brush border membrane sucrase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha-glucosidase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Glycogen debranching enzyme


(Oryctolagus cuniculus)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle amylo-1,6-glucosidase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal sucrase using sucrose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Sucrase-isomaltase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of sucrase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat small intestine maltase after 30 mins


Bioorg Med Chem Lett 21: 738-41 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.112
BindingDB Entry DOI: 10.7270/Q2D21XVS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of maltase in human Caco-2 cell model system after 2 hrs


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat small intestine sucrase after 30 mins


Bioorg Med Chem Lett 21: 738-41 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.112
BindingDB Entry DOI: 10.7270/Q2D21XVS
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat intestinal sucrase assessed as inhibition of D-glucose release after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 3298-301 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.001
BindingDB Entry DOI: 10.7270/Q2T43VRS
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal brush border membrane isomaltase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat intestinal maltase assessed as inhibition of D-glucose release after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 3298-301 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.001
BindingDB Entry DOI: 10.7270/Q2T43VRS
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal brush border membrane maltase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lysosomal alpha-glucosidase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM64173
PNG
(1-(2-furanyl)-3-phenyl-2-propyn-1-one | 1-(2-furyl...)
Show SMILES O=C(C#Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C13H8O2/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H
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n/an/a 2.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67191
PNG
(2-chloranyl-N'-(6-chloranylpyridin-2-yl)ethanehydr...)
Show SMILES ClCC(=O)NNc1cccc(Cl)n1
Show InChI InChI=1S/C7H7Cl2N3O/c8-4-7(13)12-11-6-3-1-2-5(9)10-6/h1-3H,4H2,(H,10,11)(H,12,13)
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n/an/a 2.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM67256
PNG
(2-(4-fluoroanilino)-1-phenyl-ethanone;hydrobromide...)
Show SMILES Fc1ccc(NCC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12FNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
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n/an/a 2.75E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM67345
PNG
(1-(4-methylphenyl)-2-phenylazanyl-ethanone | 2-ani...)
Show SMILES Cc1ccc(cc1)C(=O)CNc1ccccc1
Show InChI InChI=1S/C15H15NO/c1-12-7-9-13(10-8-12)15(17)11-16-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
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n/an/a 3.65E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of human small intestine microsomal maltase using maltose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Apelin receptor


(Homo sapiens (Human))
BDBM67191
PNG
(2-chloranyl-N'-(6-chloranylpyridin-2-yl)ethanehydr...)
Show SMILES ClCC(=O)NNc1cccc(Cl)n1
Show InChI InChI=1S/C7H7Cl2N3O/c8-4-7(13)12-11-6-3-1-2-5(9)10-6/h1-3H,4H2,(H,10,11)(H,12,13)
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n/an/a 3.76E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal isomaltase using isomaltose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of maltase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67256
PNG
(2-(4-fluoroanilino)-1-phenyl-ethanone;hydrobromide...)
Show SMILES Fc1ccc(NCC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12FNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
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n/an/a 7.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM64173
PNG
(1-(2-furanyl)-3-phenyl-2-propyn-1-one | 1-(2-furyl...)
Show SMILES O=C(C#Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C13H8O2/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H
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n/an/a 8.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67345
PNG
(1-(4-methylphenyl)-2-phenylazanyl-ethanone | 2-ani...)
Show SMILES Cc1ccc(cc1)C(=O)CNc1ccccc1
Show InChI InChI=1S/C15H15NO/c1-12-7-9-13(10-8-12)15(17)11-16-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
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n/an/a 9.14E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM48020
PNG
((imidazol-2-ylideneamino)-(4-nitrophenyl)amine | 2...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1
Show InChI InChI=1S/C9H6N5O2/c15-14(16)8-3-1-7(2-4-8)12-13-9-10-5-6-11-9/h1-6H/q-1/p+1/b13-12+
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n/an/a 1.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25T3HXW
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM64173
PNG
(1-(2-furanyl)-3-phenyl-2-propyn-1-one | 1-(2-furyl...)
Show SMILES O=C(C#Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C13H8O2/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H
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n/an/a 1.13E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM64173
PNG
(1-(2-furanyl)-3-phenyl-2-propyn-1-one | 1-(2-furyl...)
Show SMILES O=C(C#Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C13H8O2/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H
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n/an/a 1.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM67297
PNG
(5-diazanyl-2-propan-2-yl-1,3-oxazole-4-carbonitril...)
Show SMILES CC(C)c1nc(C#N)c(NN)o1
Show InChI InChI=1S/C7H10N4O/c1-4(2)6-10-5(3-8)7(11-9)12-6/h4,11H,9H2,1-2H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM48020
PNG
((imidazol-2-ylideneamino)-(4-nitrophenyl)amine | 2...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1
Show InChI InChI=1S/C9H6N5O2/c15-14(16)8-3-1-7(2-4-8)12-13-9-10-5-6-11-9/h1-6H/q-1/p+1/b13-12+
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n/an/a 1.36E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM64943
PNG
(2-amino-5,7-dimethyl-8-quinolinol | 2-amino-5,7-di...)
Show SMILES Cc1cc(C)c2ccc(N)nc2c1O
Show InChI InChI=1S/C11H12N2O/c1-6-5-7(2)11(14)10-8(6)3-4-9(12)13-10/h3-5,14H,1-2H3,(H2,12,13)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67263
PNG
(3-amino-4-(1-pyrrolidinyl)-1-benzopyran-2-one | 3-...)
Show SMILES Nc1c(N2CCCC2)c2ccccc2oc1=O
Show InChI InChI=1S/C13H14N2O2/c14-11-12(15-7-3-4-8-15)9-5-1-2-6-10(9)17-13(11)16/h1-2,5-6H,3-4,7-8,14H2
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n/an/a 1.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM64943
PNG
(2-amino-5,7-dimethyl-8-quinolinol | 2-amino-5,7-di...)
Show SMILES Cc1cc(C)c2ccc(N)nc2c1O
Show InChI InChI=1S/C11H12N2O/c1-6-5-7(2)11(14)10-8(6)3-4-9(12)13-10/h3-5,14H,1-2H3,(H2,12,13)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM48020
PNG
((imidazol-2-ylideneamino)-(4-nitrophenyl)amine | 2...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1
Show InChI InChI=1S/C9H6N5O2/c15-14(16)8-3-1-7(2-4-8)12-13-9-10-5-6-11-9/h1-6H/q-1/p+1/b13-12+
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n/an/a 2.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM67248
PNG
((Z)-2-cyano-3-(1-methyl-2-pyrrolyl)-2-propenethioa...)
Show SMILES Cn1cccc1\C=C(\C#N)C(N)=S
Show InChI InChI=1S/C9H9N3S/c1-12-4-2-3-8(12)5-7(6-10)9(11)13/h2-5H,1H3,(H2,11,13)/b7-5-
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n/an/a 2.45E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67297
PNG
(5-diazanyl-2-propan-2-yl-1,3-oxazole-4-carbonitril...)
Show SMILES CC(C)c1nc(C#N)c(NN)o1
Show InChI InChI=1S/C7H10N4O/c1-4(2)6-10-5(3-8)7(11-9)12-6/h4,11H,9H2,1-2H3
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n/an/a 2.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50171923
PNG
(1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...)
Show SMILES OC(C(=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
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n/an/a 2.85E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 3.17E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50171923
PNG
(1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...)
Show SMILES OC(C(=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
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n/an/a 3.52E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat small intestine isomaltase after 30 mins


Bioorg Med Chem Lett 21: 738-41 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.112
BindingDB Entry DOI: 10.7270/Q2D21XVS
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat intestinal isomaltase assessed as inhibition of D-glucose release after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 3298-301 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.001
BindingDB Entry DOI: 10.7270/Q2T43VRS
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using isomoltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM67263
PNG
(3-amino-4-(1-pyrrolidinyl)-1-benzopyran-2-one | 3-...)
Show SMILES Nc1c(N2CCCC2)c2ccccc2oc1=O
Show InChI InChI=1S/C13H14N2O2/c14-11-12(15-7-3-4-8-15)9-5-1-2-6-10(9)17-13(11)16/h1-2,5-6H,3-4,7-8,14H2
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
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