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4 similar compounds to monomer 50436113

Compile data set for download or QSAR
Wt: 340.3
BDBM50072617
Wt: 312.3
BDBM50072621
Wt: 410.4
BDBM50436112
Wt: 396.4
BDBM50436115

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50072617,50072621,50436112,50436115   
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
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50072617
PNG
(4-[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahyd...)
Show SMILES COc1ccc(CCCC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1/C17H24O7/c1-9-14(20)15(21)16(22)17(24-9)11-8-10(4-3-5-13(18)19)6-7-12(11)23-2/h6-9,14-17,20-22H,3-5H2,1-2H3,(H,18,19)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...


Bioorg Med Chem Lett 8: 3307-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00607-6
BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50072617
PNG
(4-[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahyd...)
Show SMILES COc1ccc(CCCC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1/C17H24O7/c1-9-14(20)15(21)16(22)17(24-9)11-8-10(4-3-5-13(18)19)6-7-12(11)23-2/h6-9,14-17,20-22H,3-5H2,1-2H3,(H,18,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...


Bioorg Med Chem Lett 8: 3307-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00607-6
BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50072621
PNG
(CHEMBL112485 | [4-Methoxy-3-(3,4,5-trihydroxy-6-me...)
Show SMILES COc1ccc(CC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1/C15H20O7/c1-7-12(18)13(19)14(20)15(22-7)9-5-8(6-11(16)17)3-4-10(9)21-2/h3-5,7,12-15,18-20H,6H2,1-2H3,(H,16,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...


Bioorg Med Chem Lett 8: 3307-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00607-6
BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436115
PNG
(CHEMBL2397450)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2cc3cccccc3c2)ccc1O
Show InChI InChI=1/C23H24O6/c24-12-19-20(26)21(27)22(28)23(29-19)17-11-13(6-7-18(17)25)8-14-9-15-4-2-1-3-5-16(15)10-14/h1-7,9-11,19-28H,8,12H2/t19-,20-,21+,22-,23+/s2
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n/an/a 8.90n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


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


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50072617
PNG
(4-[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahyd...)
Show SMILES COc1ccc(CCCC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1/C17H24O7/c1-9-14(20)15(21)16(22)17(24-9)11-8-10(4-3-5-13(18)19)6-7-12(11)23-2/h6-9,14-17,20-22H,3-5H2,1-2H3,(H,18,19)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...


Bioorg Med Chem Lett 8: 3307-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00607-6
BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50072621
PNG
(CHEMBL112485 | [4-Methoxy-3-(3,4,5-trihydroxy-6-me...)
Show SMILES COc1ccc(CC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1/C15H20O7/c1-7-12(18)13(19)14(20)15(22-7)9-5-8(6-11(16)17)3-4-10(9)21-2/h3-5,7,12-15,18-20H,6H2,1-2H3,(H,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...


Bioorg Med Chem Lett 8: 3307-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00607-6
BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50436112
PNG
(CHEMBL2397453)
Show SMILES COc1ccc(cc1Cc1cc2cccccc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C24H26O6/c1-29-19-8-7-17(24-23(28)22(27)21(26)20(13-25)30-24)12-18(19)11-14-9-15-5-3-2-4-6-16(15)10-14/h2-10,12,20-28H,11,13H2,1H3/t20-,21-,22+,23-,24+/s2
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n/an/a 17n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


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


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50072621
PNG
(CHEMBL112485 | [4-Methoxy-3-(3,4,5-trihydroxy-6-me...)
Show SMILES COc1ccc(CC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1/C15H20O7/c1-7-12(18)13(19)14(20)15(22-7)9-5-8(6-11(16)17)3-4-10(9)21-2/h3-5,7,12-15,18-20H,6H2,1-2H3,(H,16,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...


Bioorg Med Chem Lett 8: 3307-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00607-6
BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair