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PubMed code 24842618

Compile data set for download or QSAR
Found 56 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
Sodium/glucose cotransporter 2


(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 1n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019139
PNG
(CHEMBL3288755)
Show SMILES CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019140
PNG
(CHEMBL3288756)
Show SMILES CC(C)N1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C25H29ClN2O7/c1-13(2)28-20(30)11-27(25(28)34)17-6-3-14(4-7-17)9-16-10-15(5-8-18(16)26)24-23(33)22(32)21(31)19(12-29)35-24/h3-8,10,13,19,21-24,29,31-33H,9,11-12H2,1-2H3/t19-,21-,22+,23-,24+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104500
PNG
(US8575114, I-12)
Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104496
PNG
(US8575114, I-8)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(Cl)cn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19Cl2N3O6/c20-11-2-4-14-22-24(19(29)23(14)7-11)6-10-5-9(1-3-12(10)21)18-17(28)16(27)15(26)13(8-25)30-18/h1-5,7,13,15-18,25-28H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104489
PNG
(US8575114, I-1)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccccn3c2=O)c1 |r|
Show InChI InChI=1S/C19H20ClN3O6/c20-12-5-4-10(18-17(27)16(26)15(25)13(9-24)29-18)7-11(12)8-23-19(28)22-6-2-1-3-14(22)21-23/h1-7,13,15-18,24-27H,8-9H2/t13-,15-,16+,17-,18+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104492
PNG
(US8575114, I-4)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3cc(Cl)ccn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19Cl2N3O6/c20-11-3-4-23-14(6-11)22-24(19(23)29)7-10-5-9(1-2-12(10)21)18-17(28)16(27)15(26)13(8-25)30-18/h1-6,13,15-18,25-28H,7-8H2/t13-,15-,16+,17-,18+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104498
PNG
(US8575114, I-10)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(Br)cn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19BrClN3O6/c20-11-2-4-14-22-24(19(29)23(14)7-11)6-10-5-9(1-3-12(10)21)18-17(28)16(27)15(26)13(8-25)30-18/h1-5,7,13,15-18,25-28H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104497
PNG
(US8575114, I-9)
Show SMILES Cc1ccn2c(c1)nn(Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2=O |r|
Show InChI InChI=1S/C20H22ClN3O6/c1-10-4-5-23-15(6-10)22-24(20(23)29)8-12-7-11(2-3-13(12)21)19-18(28)17(27)16(26)14(9-25)30-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104490
PNG
(US8575114, I-2)
Show SMILES Cc1ccc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2c1 |r|
Show InChI InChI=1S/C20H22ClN3O6/c1-10-2-5-15-22-24(20(29)23(15)7-10)8-12-6-11(3-4-13(12)21)19-18(28)17(27)16(26)14(9-25)30-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104494
PNG
(US8575114, I-6)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(CO)cn3c2=O)c1 |r|
Show InChI InChI=1S/C20H22ClN3O7/c21-13-3-2-11(19-18(29)17(28)16(27)14(9-26)31-19)5-12(13)7-24-20(30)23-6-10(8-25)1-4-15(23)22-24/h1-6,14,16-19,25-29H,7-9H2/t14-,16-,17+,18-,19+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104499
PNG
(US8575114, I-11)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(F)cn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19ClFN3O6/c20-12-3-1-9(18-17(28)16(27)15(26)13(8-25)30-18)5-10(12)6-24-19(29)23-7-11(21)2-4-14(23)22-24/h1-5,7,13,15-18,25-28H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019138
PNG
(CHEMBL3288754)
Show SMILES CN1C(=O)N(c2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C(C)(C)C1=O |r|
Show InChI InChI=1S/C25H29ClN2O7/c1-25(2)23(33)27(3)24(34)28(25)16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)26)22-21(32)20(31)19(30)18(12-29)35-22/h4-9,11,18-22,29-32H,10,12H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104491
PNG
(US8575114, I-3)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3cc(ccn3c2=O)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3O6/c21-12-2-1-9(18-17(31)16(30)15(29)13(8-28)33-18)5-10(12)7-27-19(32)26-4-3-11(20(22,23)24)6-14(26)25-27/h1-6,13,15-18,28-31H,7-8H2/t13-,15-,16+,17-,18+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019137
PNG
(CHEMBL3288753)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(cc2)N2CC(=O)N(C2=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 |r|
Show InChI InChI=1S/C41H37ClN2O7/c42-33-21-18-27(39-38(49)37(48)36(47)34(25-45)51-39)23-28(33)22-26-16-19-32(20-17-26)43-24-35(46)44(40(43)50)41(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-21,23,34,36-39,45,47-49H,22,24-25H2/t34-,36-,37+,38-,39+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019141
PNG
(CHEMBL3288757)
Show SMILES CN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H25ClN2O7/c1-25-18(28)10-26(23(25)32)15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)24)22-21(31)20(30)19(29)17(11-27)33-22/h2-7,9,17,19-22,27,29-31H,8,10-11H2,1H3/t17-,19-,20+,21-,22+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM104493
PNG
(US8575114, I-5)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(cn3c2=O)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3O6/c21-12-3-1-9(18-17(31)16(30)15(29)13(8-28)33-18)5-10(12)6-27-19(32)26-7-11(20(22,23)24)2-4-14(26)25-27/h1-5,7,13,15-18,28-31H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(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 891n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019136
PNG
(CHEMBL3288751)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3c(F)cccn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19ClFN3O6/c20-11-4-3-9(17-16(28)15(27)14(26)13(8-25)30-17)6-10(11)7-24-19(29)23-5-1-2-12(21)18(23)22-24/h1-6,13-17,25-28H,7-8H2/t13-,14-,15+,16-,17+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019132
PNG
(CHEMBL3288747)
Show SMILES COc1ccn2c(c1)nn(Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2=O |r|
Show InChI InChI=1S/C20H22ClN3O7/c1-30-12-4-5-23-15(7-12)22-24(20(23)29)8-11-6-10(2-3-13(11)21)19-18(28)17(27)16(26)14(9-25)31-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a 5.48E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019133
PNG
(CHEMBL3288748)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3cc(OCC(F)(F)F)ccn3c2=O)c1 |r|
Show InChI InChI=1S/C21H21ClF3N3O7/c22-13-2-1-10(19-18(32)17(31)16(30)14(8-29)35-19)5-11(13)7-28-20(33)27-4-3-12(6-15(27)26-28)34-9-21(23,24)25/h1-6,14,16-19,29-32H,7-9H2/t14-,16-,17+,18-,19+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019137
PNG
(CHEMBL3288753)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(cc2)N2CC(=O)N(C2=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 |r|
Show InChI InChI=1S/C41H37ClN2O7/c42-33-21-18-27(39-38(49)37(48)36(47)34(25-45)51-39)23-28(33)22-26-16-19-32(20-17-26)43-24-35(46)44(40(43)50)41(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-21,23,34,36-39,45,47-49H,22,24-25H2/t34-,36-,37+,38-,39+/m1/s1
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n/an/a 6.25E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019135
PNG
(CHEMBL3288750)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3c(Cl)cccn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19Cl2N3O6/c20-11-4-3-9(17-16(28)15(27)14(26)13(8-25)30-17)6-10(11)7-24-19(29)23-5-1-2-12(21)18(23)22-24/h1-6,13-17,25-28H,7-8H2/t13-,14-,15+,16-,17+/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50019134
PNG
(CHEMBL3288749)
Show SMILES Cc1cccc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n12 |r|
Show InChI InChI=1S/C20H22ClN3O6/c1-10-3-2-4-15-22-23(20(29)24(10)15)8-12-7-11(5-6-13(12)21)19-18(28)17(27)16(26)14(9-25)30-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a 9.92E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM104500
PNG
(US8575114, I-12)
Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM104500
PNG
(US8575114, I-12)
Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM104500
PNG
(US8575114, I-12)
Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50019139
PNG
(CHEMBL3288755)
Show SMILES CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))		BDBM50019139
PNG
(CHEMBL3288755)
Show SMILES CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM104500
PNG
(US8575114, I-12)
Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50019139
PNG
(CHEMBL3288755)
Show SMILES CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50019139
PNG
(CHEMBL3288755)
Show SMILES CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM104500
PNG
(US8575114, I-12)
Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50019139
PNG
(CHEMBL3288755)
Show SMILES CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))		BDBM104500
PNG
(US8575114, I-12)
Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50019139
PNG
(CHEMBL3288755)
Show SMILES CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a>1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019139
PNG
(CHEMBL3288755)
Show SMILES CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H27ClN2O7/c1-2-26-19(29)11-27(24(26)33)16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)25)23-22(32)21(31)20(30)18(12-28)34-23/h3-8,10,18,20-23,28,30-32H,2,9,11-12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019140
PNG
(CHEMBL3288756)
Show SMILES CC(C)N1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C25H29ClN2O7/c1-13(2)28-20(30)11-27(25(28)34)17-6-3-14(4-7-17)9-16-10-15(5-8-18(16)26)24-23(33)22(32)21(31)19(12-29)35-24/h3-8,10,13,19,21-24,29,31-33H,9,11-12H2,1-2H3/t19-,21-,22+,23-,24+/m1/s1
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n/an/a 3.53E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019138
PNG
(CHEMBL3288754)
Show SMILES CN1C(=O)N(c2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C(C)(C)C1=O |r|
Show InChI InChI=1S/C25H29ClN2O7/c1-25(2)23(33)27(3)24(34)28(25)16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)26)22-21(32)20(31)19(30)18(12-29)35-22/h4-9,11,18-22,29-32H,10,12H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 8.31E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019135
PNG
(CHEMBL3288750)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3c(Cl)cccn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19Cl2N3O6/c20-11-4-3-9(17-16(28)15(27)14(26)13(8-25)30-17)6-10(11)7-24-19(29)23-5-1-2-12(21)18(23)22-24/h1-6,13-17,25-28H,7-8H2/t13-,14-,15+,16-,17+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104500
PNG
(US8575114, I-12)
Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104498
PNG
(US8575114, I-10)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(Br)cn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19BrClN3O6/c20-11-2-4-14-22-24(19(29)23(14)7-11)6-10-5-9(1-3-12(10)21)18-17(28)16(27)15(26)13(8-25)30-18/h1-5,7,13,15-18,25-28H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104491
PNG
(US8575114, I-3)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3cc(ccn3c2=O)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3O6/c21-12-2-1-9(18-17(31)16(30)15(29)13(8-28)33-18)5-10(12)7-27-19(32)26-4-3-11(20(22,23)24)6-14(26)25-27/h1-6,13,15-18,28-31H,7-8H2/t13-,15-,16+,17-,18+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019141
PNG
(CHEMBL3288757)
Show SMILES CN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H25ClN2O7/c1-25-18(28)10-26(23(25)32)15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)24)22-21(31)20(30)19(29)17(11-27)33-22/h2-7,9,17,19-22,27,29-31H,8,10-11H2,1H3/t17-,19-,20+,21-,22+/m1/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104496
PNG
(US8575114, I-8)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(Cl)cn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19Cl2N3O6/c20-11-2-4-14-22-24(19(29)23(14)7-11)6-10-5-9(1-3-12(10)21)18-17(28)16(27)15(26)13(8-25)30-18/h1-5,7,13,15-18,25-28H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104499
PNG
(US8575114, I-11)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(F)cn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19ClFN3O6/c20-12-3-1-9(18-17(28)16(27)15(26)13(8-25)30-18)5-10(12)6-24-19(29)23-7-11(21)2-4-14(23)22-24/h1-5,7,13,15-18,25-28H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104497
PNG
(US8575114, I-9)
Show SMILES Cc1ccn2c(c1)nn(Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2=O |r|
Show InChI InChI=1S/C20H22ClN3O6/c1-10-4-5-23-15(6-10)22-24(20(23)29)8-12-7-11(2-3-13(12)21)19-18(28)17(27)16(26)14(9-25)30-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019136
PNG
(CHEMBL3288751)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3c(F)cccn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19ClFN3O6/c20-11-4-3-9(17-16(28)15(27)14(26)13(8-25)30-17)6-10(11)7-24-19(29)23-5-1-2-12(21)18(23)22-24/h1-6,13-17,25-28H,7-8H2/t13-,14-,15+,16-,17+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019134
PNG
(CHEMBL3288749)
Show SMILES Cc1cccc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n12 |r|
Show InChI InChI=1S/C20H22ClN3O6/c1-10-3-2-4-15-22-23(20(29)24(10)15)8-12-7-11(5-6-13(12)21)19-18(28)17(27)16(26)14(9-25)30-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019133
PNG
(CHEMBL3288748)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3cc(OCC(F)(F)F)ccn3c2=O)c1 |r|
Show InChI InChI=1S/C21H21ClF3N3O7/c22-13-2-1-10(19-18(32)17(31)16(30)14(8-29)35-19)5-11(13)7-28-20(33)27-4-3-12(6-15(27)26-28)34-9-21(23,24)25/h1-6,14,16-19,29-32H,7-9H2/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104494
PNG
(US8575114, I-6)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(CO)cn3c2=O)c1 |r|
Show InChI InChI=1S/C20H22ClN3O7/c21-13-3-2-11(19-18(29)17(28)16(27)14(9-26)31-19)5-12(13)7-24-20(30)23-6-10(8-25)1-4-15(23)22-24/h1-6,14,16-19,25-29H,7-9H2/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104489
PNG
(US8575114, I-1)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccccn3c2=O)c1 |r|
Show InChI InChI=1S/C19H20ClN3O6/c20-12-5-4-10(18-17(27)16(26)15(25)13(9-24)29-18)7-11(12)8-23-19(28)22-6-2-1-3-14(22)21-23/h1-7,13,15-18,24-27H,8-9H2/t13-,15-,16+,17-,18+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50019132
PNG
(CHEMBL3288747)
Show SMILES COc1ccn2c(c1)nn(Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2=O |r|
Show InChI InChI=1S/C20H22ClN3O7/c1-30-12-4-5-23-15(7-12)22-24(20(23)29)8-11-6-10(2-3-13(11)21)19-18(28)17(27)16(26)14(9-25)31-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104490
PNG
(US8575114, I-2)
Show SMILES Cc1ccc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2c1 |r|
Show InChI InChI=1S/C20H22ClN3O6/c1-10-2-5-15-22-24(20(29)23(15)7-10)8-12-6-11(3-4-13(12)21)19-18(28)17(27)16(26)14(9-25)30-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
PDB

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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104492
PNG
(US8575114, I-4)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3cc(Cl)ccn3c2=O)c1 |r|
Show InChI InChI=1S/C19H19Cl2N3O6/c20-11-3-4-23-14(6-11)22-24(19(23)29)7-10-5-9(1-2-12(10)21)18-17(28)16(27)15(26)13(8-25)30-18/h1-6,13,15-18,25-28H,7-8H2/t13-,15-,16+,17-,18+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM104493
PNG
(US8575114, I-5)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(cn3c2=O)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3O6/c21-12-3-1-9(18-17(31)16(30)15(29)13(8-28)33-18)5-10(12)6-27-19(32)26-7-11(20(22,23)24)2-4-14(26)25-27/h1-5,7,13,15-18,28-31H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>9.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi...

Bioorg Med Chem 22: 3414-22 (2014)


Article DOI: 10.1016/j.bmc.2014.04.036
BindingDB Entry DOI: 10.7270/Q2H70HCT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%