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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'maguire' and Initial = 'rj'   
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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305346
PNG
((S)-2-(2-aminoethoxy)-3-(1-phenyl-1H-imidazol-4-yl...)
Show SMILES NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305347
PNG
((S)-2-(2-aminoethoxy)-3-(1-(4-tert-butylphenyl)-1H...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1 |r|
Show InChI InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305351
PNG
((S)-2-((R)-1-aminopropan-2-yloxy)-3-(1-(pyridin-2-...)
Show SMILES C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O |r|
Show InChI InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305345
PNG
((S)-2-(2-aminoethoxy)-3-(1-propyl-1H-imidazol-4-yl...)
Show SMILES CCCn1cnc(C[C@H](OCCN)C(O)=O)c1 |r|
Show InChI InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305352
PNG
((S)-2-((R)-1-aminopropan-2-yloxy)-3-(1-phenyl-1H-i...)
Show SMILES C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305348
PNG
((S)-2-(2-aminoethoxy)-3-(1-(2-cyclohexylethyl)-1H-...)
Show SMILES NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O |r|
Show InChI InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305349
PNG
((+/-)-2-(2-aminoethoxy)-3-(1-butyl-1H-imidazol-4-y...)
Show SMILES CCCCn1cnc(CC(OCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305346
PNG
((S)-2-(2-aminoethoxy)-3-(1-phenyl-1H-imidazol-4-yl...)
Show SMILES NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305348
PNG
((S)-2-(2-aminoethoxy)-3-(1-(2-cyclohexylethyl)-1H-...)
Show SMILES NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O |r|
Show InChI InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305347
PNG
((S)-2-(2-aminoethoxy)-3-(1-(4-tert-butylphenyl)-1H...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1 |r|
Show InChI InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1
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49n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305350
PNG
((+/-)-2-(2-aminoethoxy)-3-(1-o-tolyl-1H-imidazol-4...)
Show SMILES Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1
Show InChI InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)
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65n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50226606
PNG
((S)-2-(2-aminoethylamino)-3-(1-propyl-1H-imidazol-...)
Show SMILES CCCn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1
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150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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206n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305345
PNG
((S)-2-(2-aminoethoxy)-3-(1-propyl-1H-imidazol-4-yl...)
Show SMILES CCCn1cnc(C[C@H](OCCN)C(O)=O)c1 |r|
Show InChI InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1
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238n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305352
PNG
((S)-2-((R)-1-aminopropan-2-yloxy)-3-(1-phenyl-1H-i...)
Show SMILES C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1
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240n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305351
PNG
((S)-2-((R)-1-aminopropan-2-yloxy)-3-(1-(pyridin-2-...)
Show SMILES C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O |r|
Show InChI InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1
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265n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305349
PNG
((+/-)-2-(2-aminoethoxy)-3-(1-butyl-1H-imidazol-4-y...)
Show SMILES CCCCn1cnc(CC(OCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)
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360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305353
PNG
((+/-)-2-(2-(methylamino)ethoxy)-3-(1-propyl-1H-imi...)
Show SMILES CCCn1cnc(CC(OCCNC)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)
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407n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305354
PNG
((R)-2-(2-aminoethoxy)-3-(1-propyl-1H-imidazol-4-yl...)
Show SMILES CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1 |r|
Show InChI InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50226606
PNG
((S)-2-(2-aminoethylamino)-3-(1-propyl-1H-imidazol-...)
Show SMILES CCCn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1
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1.16E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305350
PNG
((+/-)-2-(2-aminoethoxy)-3-(1-o-tolyl-1H-imidazol-4...)
Show SMILES Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1
Show InChI InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)
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2.72E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305353
PNG
((+/-)-2-(2-(methylamino)ethoxy)-3-(1-propyl-1H-imi...)
Show SMILES CCCn1cnc(CC(OCCNC)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305354
PNG
((R)-2-(2-aminoethoxy)-3-(1-propyl-1H-imidazol-4-yl...)
Show SMILES CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1 |r|
Show InChI InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 0.877n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342887
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
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n/an/a 0.882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342889
PNG
((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-13-3-6-16(10-15(13)9-14-4-7-17(27-2)8-5-14)22-20(26)18(24)19(25)21(11-23,29-22)12-28-22/h3-8,10,18-20,23-26H,9,11-12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.07n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342888
PNG
((1S,2S,3S,4R,5S)-5-[3-(4-Ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H28O7/c1-3-28-18-8-5-15(6-9-18)10-16-11-17(7-4-14(16)2)23-21(27)19(25)20(26)22(12-24,30-23)13-29-23/h4-9,11,19-21,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 1.11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Rattus norvegicus)
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat SGLT2


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20880
PNG
((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313364
PNG
((2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphen...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O5/c1-3-14-5-7-15(8-6-14)10-17-11-16(9-4-13(17)2)22-21(26)20(25)19(24)18(12-23)27-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313371
PNG
((2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO5/c1-11-17(22)18(23)19(24)20(26-11)13-5-8-16(21)14(10-13)9-12-3-6-15(25-2)7-4-12/h3-8,10-11,17-20,22-24H,9H2,1-2H3/t11-,17-,18+,19-,20+/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313374
PNG
((5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O4/c1-3-15-5-7-16(8-6-15)12-18-13-17(9-4-14(18)2)21-19(24)20(25)22(26)23(27-21)10-11-23/h4-9,13,19-22,24-26H,3,10-12H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313367
PNG
((6S,7R,8R,9S)-6-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O5/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(24)20(25)22(26)23(28-21)12-27-13-23/h4-9,11,19-22,24-26H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313384
PNG
((2S,3R,4R,5S,6S)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CF)c1ccc(Cl)c(Cc2ccc(OC)cc2)c1 |r|
Show InChI InChI=1S/C21H24ClFO5/c1-26-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)20-18(24)19(25)21(27-2)17(11-23)28-20/h3-8,10,17-21,24-25H,9,11H2,1-2H3/t17-,18-,19-,20+,21-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313368
PNG
((6S,7R,8R,9S)-6-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-13-3-6-15(10-16(13)9-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(28-20)11-27-12-22/h3-8,10,18-21,23-25H,9,11-12H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50313368
PNG
((6S,7R,8R,9S)-6-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-13-3-6-15(10-16(13)9-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(28-20)11-27-12-22/h3-8,10,18-21,23-25H,9,11-12H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 6.98n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313375
PNG
((5S,6R,7R,8S)-5-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O5/c1-13-3-6-15(12-16(13)11-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(27-20)9-10-22/h3-8,12,18-21,23-25H,9-11H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313377
PNG
((6S,7R,8R,9S)-6-[3-(4-Ethyl-benzyl)-4-methyl-pheny...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CS(=O)(=O)C3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O6S/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(24)20(25)22(26)23(29-21)12-30(27,28)13-23/h4-9,11,19-22,24-26H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313381
PNG
((2S,3R,4S,6S)-2-(4-chloro-3-(4-methoxybenzyl)pheny...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO5/c1-25-15-5-2-12(3-6-15)8-14-9-13(4-7-17(14)21)20-19(24)18(23)10-16(11-22)26-20/h2-7,9,16,18-20,22-24H,8,10-11H2,1H3/t16-,18-,19+,20-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313369
PNG
((6S,7R,8R,9S)-6-(4-chloro-3-(4-methoxybenzyl)pheny...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H23ClO6/c1-26-15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)22)19-17(23)18(24)20(25)21(28-19)10-27-11-21/h2-7,9,17-20,23-25H,8,10-11H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313370
PNG
((6S,7R,8R,9S)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-28-16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)23)20-18(24)19(25)21(26)22(29-20)11-27-12-22/h3-8,10,18-21,24-26H,2,9,11-12H2,1H3/t18-,19-,20+,21+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342886
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-methoxybenzyl)-p...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 43.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313373
PNG
((5R,7S,8R,9R,10S)-7-(3-(4-ethylbenzyl)-4-methylphe...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@]3(CCCO3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H30O5/c1-3-16-6-8-17(9-7-16)13-19-14-18(10-5-15(19)2)22-20(25)21(26)23(27)24(29-22)11-4-12-28-24/h5-10,14,20-23,25-27H,3-4,11-13H2,1-2H3/t20-,21-,22+,23+,24-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313372
PNG
((3S,4R,5R,6S)-6-(4-chloro-3-(4-methoxybenzyl)pheny...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(CO)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO7/c1-28-15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)22)19-17(25)18(26)20(27)21(10-23,11-24)29-19/h2-7,9,17-20,23-27H,8,10-11H2,1H3/t17-,18-,19+,20+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50313371
PNG
((2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO5/c1-11-17(22)18(23)19(24)20(26-11)13-5-8-16(21)14(10-13)9-12-3-6-15(25-2)7-4-12/h3-8,10-11,17-20,22-24H,9H2,1-2H3/t11-,17-,18+,19-,20+/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342884
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)-ph...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 89.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313382
PNG
((2S,3R,4R,5R,6R)-2-(3-(4-ethylbenzyl)-4-methylphen...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O5/c1-3-14-5-7-15(8-6-14)10-17-11-16(9-4-13(17)2)22-21(26)20(25)19(24)18(12-23)27-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19+,20+,21-,22+/m1/s1
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n/an/a 139n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50313378
PNG
((2R,3S,4S,5R,6S)-6-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1ccc(Cl)c(Cc2ccc(OC)cc2)c1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-26-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)20-21(27-2)19(25)18(24)17(11-23)28-20/h3-8,10,17-21,23-25H,9,11H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
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