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3 similar compounds to monomer 20878

Compile data set for download or QSAR
Wt: 286.2
BDBM85510
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Wt: 360.4
BDBM50244463
Wt: 448.4
BDBM50351429

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 85510,50244463,50351429   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM85510
PNG
(CAS_138-52-3 | NSC_5145 | Salicin)
Show SMILES OCC1OC(Oc2ccccc2CO)C(O)C(O)C1O
Show InChI InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2
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>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM85510
PNG
(CAS_138-52-3 | NSC_5145 | Salicin)
Show SMILES OCC1OC(Oc2ccccc2CO)C(O)C(O)C1O
Show InChI InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2
PDB
MMDB

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>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50351429
PNG
(CHEMBL450044)
Show SMILES CCOC(=O)OCC1OC(Oc2ccccc2Cc2ccc(OC)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3
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n/an/a 260n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG uptake after 45 mins


Bioorg Med Chem 19: 5334-41 (2011)


Article DOI: 10.1016/j.bmc.2011.08.005
BindingDB Entry DOI: 10.7270/Q2F1903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50351429
PNG
(CHEMBL450044)
Show SMILES CCOC(=O)OCC1OC(Oc2ccccc2Cc2ccc(OC)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as [14C]AMG uptake after 45 mins


Bioorg Med Chem 19: 5334-41 (2011)


Article DOI: 10.1016/j.bmc.2011.08.005
BindingDB Entry DOI: 10.7270/Q2F1903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50351429
PNG
(CHEMBL450044)
Show SMILES CCOC(=O)OCC1OC(Oc2ccccc2Cc2ccc(OC)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3
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n/an/a 260n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay


Bioorg Med Chem 20: 4117-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50351429
PNG
(CHEMBL450044)
Show SMILES CCOC(=O)OCC1OC(Oc2ccccc2Cc2ccc(OC)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO-K1 cells by [14C]AMG uptake assay


Bioorg Med Chem 20: 4117-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.053
BindingDB Entry DOI: 10.7270/Q26111CJ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244463
PNG
((2R,3S,4S,5R,6S)-2-Hydroxymethyl-6-[2-(4-methyl-be...)
Show SMILES Cc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O6/c1-12-6-8-13(9-7-12)10-14-4-2-3-5-15(14)25-20-19(24)18(23)17(22)16(11-21)26-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]-alpha-methyl glucopyranoside


Bioorg Med Chem Lett 18: 4770-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.109
BindingDB Entry DOI: 10.7270/Q2NP248D
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50244463
PNG
((2R,3S,4S,5R,6S)-2-Hydroxymethyl-6-[2-(4-methyl-be...)
Show SMILES Cc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O6/c1-12-6-8-13(9-7-12)10-14-4-2-3-5-15(14)25-20-19(24)18(23)17(22)16(11-21)26-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintilla...


J Med Chem 53: 8770-4 (2010)


Article DOI: 10.1021/jm101080v
BindingDB Entry DOI: 10.7270/Q2N29X9T
More data for this
Ligand-Target Pair