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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'nishimoto' and Initial = 'm'   
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
Cytochrome P450 4A4


(Oryctolagus cuniculus)
BDBM50047304
PNG
(12-Hydroxy-heptadec-16-ynoic acid | CHEMBL33390)
Show SMILES O[C@@H](CCCCCCCCCCC(O)=O)CCCC#C
Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung


J Med Chem 36: 1418-24 (1993)


BindingDB Entry DOI: 10.7270/Q2Q52NQW
More data for this
Ligand-Target Pair
Cytochrome P450 4A4


(Oryctolagus cuniculus)
BDBM50047307
PNG
(12-Hydroxy-heptadec-16-ynoic acid | CHEMBL33875)
Show SMILES O[C@H](CCCCCCCCCCC(O)=O)CCCC#C
Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung


J Med Chem 36: 1418-24 (1993)


BindingDB Entry DOI: 10.7270/Q2Q52NQW
More data for this
Ligand-Target Pair
Cytochrome P450 4A4


(Oryctolagus cuniculus)
BDBM50047305
PNG
(12-Hydroxy-heptadec-16-ynoic acid | CHEMBL29370)
Show SMILES OC(CCCCCCCCCCC(O)=O)CCCC#C
Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)
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4.80E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung


J Med Chem 36: 1418-24 (1993)


BindingDB Entry DOI: 10.7270/Q2Q52NQW
More data for this
Ligand-Target Pair
Cytochrome P450 4A4


(Oryctolagus cuniculus)
BDBM50047306
PNG
(12-Hydroxy-2,2-dimethyl-heptadec-16-ynoic acid | C...)
Show SMILES CC(C)(CCCCCCCCCC(O)CCCC#C)C(O)=O
Show InChI InChI=1S/C19H34O3/c1-4-5-11-14-17(20)15-12-9-7-6-8-10-13-16-19(2,3)18(21)22/h1,17,20H,5-16H2,2-3H3,(H,21,22)
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4.90E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung


J Med Chem 36: 1418-24 (1993)


BindingDB Entry DOI: 10.7270/Q2Q52NQW
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 1.30n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50303243
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 1.30n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
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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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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396767
PNG
(CHEMBL2172387)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2C#C)cc1 |r|
Show InChI InChI=1S/C24H26O6/c1-3-14-5-7-15(8-6-14)9-17-11-19-18(10-16(17)4-2)13-29-24(19)23(28)22(27)21(26)20(12-25)30-24/h2,5-8,10-11,20-23,25-28H,3,9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396768
PNG
(CHEMBL2172386)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2C)cc1 |r|
Show InChI InChI=1S/C23H28O6/c1-3-14-4-6-15(7-5-14)9-16-10-18-17(8-13(16)2)12-28-23(18)22(27)21(26)20(25)19(11-24)29-23/h4-8,10,19-22,24-27H,3,9,11-12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396776
PNG
(CHEMBL2172494)
Show SMILES OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(cc4)C4CC4)cc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H26O6/c24-11-19-20(25)21(26)22(27)23(29-19)18-10-14(3-6-17(18)12-28-23)9-13-1-4-15(5-2-13)16-7-8-16/h1-6,10,16,19-22,24-27H,7-9,11-12H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 1.60n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396779
PNG
(TOFOGLIFLOZIN)
Show SMILES CCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 2.90n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396777
PNG
(CHEMBL2172493)
Show SMILES CC(C)c1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C23H28O6/c1-13(2)16-6-3-14(4-7-16)9-15-5-8-17-12-28-23(18(17)10-15)22(27)21(26)20(25)19(11-24)29-23/h3-8,10,13,19-22,24-27H,9,11-12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 3.20n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396769
PNG
(CHEMBL2172385)
Show SMILES CSc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C21H24O6S/c1-28-15-6-3-12(4-7-15)8-13-2-5-14-11-26-21(16(14)9-13)20(25)19(24)18(23)17(10-22)27-21/h2-7,9,17-20,22-25H,8,10-11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 3.60n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20878
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)
Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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n/an/a 4.80n/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
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM20878
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)
Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396780
PNG
(CHEMBL2172491)
Show SMILES Cc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C21H24O6/c1-12-2-4-13(5-3-12)8-14-6-7-15-11-26-21(16(15)9-14)20(25)19(24)18(23)17(10-22)27-21/h2-7,9,17-20,22-25H,8,10-11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 4.80n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190401
PNG
(CHEMBL211177 | tert-butyl-(3S)-3-{[(5R)-5-(2,2,2-t...)
Show SMILES C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NO[C@H](C1)C(O)(C(F)(F)F)C(F)(F)F |t:13|
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190407
PNG
((3S)-3-methylpentan-3-yl 3-(5-(1,1,1,3,3,3-hexaflu...)
Show SMILES CCC(C)(CC)OC(=O)C[C@H](C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:15|
Show InChI InChI=1S/C17H24F6N2O5/c1-5-14(4,6-2)29-12(26)7-9(3)24-13(27)10-8-11(30-25-10)15(28,16(18,19)20)17(21,22)23/h9,11,28H,5-8H2,1-4H3,(H,24,27)/t9-,11?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386885
PNG
(CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE)
Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
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n/an/a 6.70n/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
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190399
PNG
(3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...)
Show SMILES CCC(C)(CC)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:14|
Show InChI InChI=1S/C16H22F6N2O5/c1-4-13(3,5-2)28-11(25)6-7-23-12(26)9-8-10(29-24-9)14(27,15(17,18)19)16(20,21)22/h10,27H,4-8H2,1-3H3,(H,23,26)
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190397
PNG
(CHEMBL208825 | tert-butyl-(3S)-3-{[5-(2,2,2-triflu...)
Show SMILES C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:13|
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396778
PNG
(CHEMBL2172492)
Show SMILES CCCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C23H28O6/c1-2-3-14-4-6-15(7-5-14)10-16-8-9-17-13-28-23(18(17)11-16)22(27)21(26)20(25)19(12-24)29-23/h4-9,11,19-22,24-27H,2-3,10,12-13H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 7.5n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190410
PNG
(CHEMBL378459 | tert-butyl-(3R)-3-{[(5R)-5-(2,2,2-t...)
Show SMILES C[C@H](CC(=O)OC(C)(C)C)NC(=O)C1=NO[C@H](C1)C(O)(C(F)(F)F)C(F)(F)F |t:13|
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386886
PNG
(CHEMBL2048488)
Show SMILES CCc1ccc(Cc2cc(ccc2OC)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H30O5/c1-3-14-4-6-15(7-5-14)10-17-11-16(8-9-20(17)28-2)19-12-18(13-24)21(25)23(27)22(19)26/h4-9,11,18-19,21-27H,3,10,12-13H2,1-2H3/t18-,19+,21-,22+,23+/m1/s1
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n/an/a 8.30n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386883
PNG
(CHEMBL2048496)
Show SMILES CCc1ccc(Cc2cc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1 |r|
Show InChI InChI=1S/C24H32O6/c1-4-14-5-7-15(8-6-14)9-16-10-18(21(30-3)12-20(16)29-2)19-11-17(13-25)22(26)24(28)23(19)27/h5-8,10,12,17,19,22-28H,4,9,11,13H2,1-3H3/t17-,19+,22-,23+,24+/m1/s1
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n/an/a 8.5n/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
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190408
PNG
(3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl...)
Show SMILES CC(C)CC(C)(CC(C)C)OC(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:18|
Show InChI InChI=1S/C20H30F6N2O5/c1-11(2)9-17(5,10-12(3)4)32-15(29)6-7-27-16(30)13-8-14(33-28-13)18(31,19(21,22)23)20(24,25)26/h11-12,14,31H,6-10H2,1-5H3,(H,27,30)
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n/an/a 9n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50186046
PNG
(CHEMBL210138 | N-(4-cyanobenzyl)-N-(5-(1,1,1,3,3,3...)
Show SMILES OC(c1cnc(s1)N(Cc1ccc(cc1)C#N)C(=O)c1ccncc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H12F6N4O2S/c21-19(22,23)18(32,20(24,25)26)15-10-29-17(33-15)30(16(31)14-5-7-28-8-6-14)11-13-3-1-12(9-27)2-4-13/h1-8,10,32H,11H2
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n/an/a 9n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396781
PNG
(CHEMBL2172389)
Show SMILES COc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C21H24O7/c1-26-15-6-3-12(4-7-15)8-13-2-5-14-11-27-21(16(14)9-13)20(25)19(24)18(23)17(10-22)28-21/h2-7,9,17-20,22-25H,8,10-11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 9.10n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50303241
PNG
((1S,3'R,4'S,5'S,6'R)-6-(4-ethoxybenzyl)-6'-(hydrox...)
Show SMILES CCOc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-2-27-16-7-4-13(5-8-16)9-14-3-6-15-12-28-22(17(15)10-14)21(26)20(25)19(24)18(11-23)29-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 9.60n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386889
PNG
(CHEMBL2048493)
Show SMILES CCOc1ccc(Cc2ccc(CC)cc2)cc1[C@]1(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H32O6/c1-3-15-5-7-16(8-6-15)11-17-9-10-20(30-4-2)19(12-17)24(29)13-18(14-25)21(26)22(27)23(24)28/h5-10,12,18,21-23,25-29H,3-4,11,13-14H2,1-2H3/t18-,21-,22+,23-,24-/m1/s1
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n/an/a 9.90n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386884
PNG
(CHEMBL2048497)
Show SMILES CCc1ccc(Cc2cc(c(OC)cc2OC)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H32O7/c1-4-14-5-7-15(8-6-14)9-16-10-18(20(31-3)11-19(16)30-2)24(29)12-17(13-25)21(26)22(27)23(24)28/h5-8,10-11,17,21-23,25-29H,4,9,12-13H2,1-3H3/t17-,21-,22+,23-,24-/m1/s1
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n/an/a 10n/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
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190413
PNG
(CHEMBL379321 | tert-butyl-(3R)-3-{[5-(2,2,2-triflu...)
Show SMILES C[C@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:13|
Show InChI InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)/t7-,9?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50351435
PNG
(CHEMBL1819489)
Show SMILES OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(cc2)C2CC2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H28O5/c24-13-18-12-20(22(26)23(27)21(18)25)28-19-4-2-1-3-17(19)11-14-5-7-15(8-6-14)16-9-10-16/h1-8,16,18,20-27H,9-13H2/t18-,20-,21-,22+,23+/m1/s1
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n/an/a 11n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386880
PNG
(CHEMBL2048487)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccc(cc2)C2CC2)c1 |r|
Show InChI InChI=1S/C23H28O4/c24-13-19-12-20(22(26)23(27)21(19)25)18-3-1-2-15(11-18)10-14-4-6-16(7-5-14)17-8-9-17/h1-7,11,17,19-27H,8-10,12-13H2/t19-,20+,21-,22+,23+/m1/s1
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n/an/a 11n/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
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50186054
PNG
(4-((3,5-dichloro-N-(5-(1,1,1,3,3,3-hexafluoro-2-hy...)
Show SMILES OC(=O)c1ccc(CN(C(=O)c2cc(Cl)cc(Cl)c2)c2ncc(s2)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H12Cl2F6N2O4S/c22-13-5-12(6-14(23)7-13)16(32)31(9-10-1-3-11(4-2-10)17(33)34)18-30-8-15(36-18)19(35,20(24,25)26)21(27,28)29/h1-8,35H,9H2,(H,33,34)
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n/an/a 11n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386881
PNG
(CHEMBL2048490)
Show SMILES CCc1ccc(Cc2ccc(OC)c(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H30O5/c1-3-14-4-6-15(7-5-14)10-16-8-9-20(28-2)18(11-16)19-12-17(13-24)21(25)23(27)22(19)26/h4-9,11,17,19,21-27H,3,10,12-13H2,1-2H3/t17-,19+,21-,22+,23+/m1/s1
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n/an/a 12n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386888
PNG
(CHEMBL2048491)
Show SMILES CCc1ccc(Cc2ccc(OC)c(c2)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H30O6/c1-3-14-4-6-15(7-5-14)10-16-8-9-19(29-2)18(11-16)23(28)12-17(13-24)20(25)21(26)22(23)27/h4-9,11,17,20-22,24-28H,3,10,12-13H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1
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n/an/a 14n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396771
PNG
(CHEMBL2172383)
Show SMILES OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(cc4)C(F)(F)F)cc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H21F3O6/c22-21(23,24)14-5-2-11(3-6-14)7-12-1-4-13-10-29-20(15(13)8-12)19(28)18(27)17(26)16(9-25)30-20/h1-6,8,16-19,25-28H,7,9-10H2/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 14.2n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396770
PNG
(CHEMBL2172384)
Show SMILES OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(OC(F)(F)F)cc4)cc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H21F3O7/c22-21(23,24)30-14-5-2-11(3-6-14)7-12-1-4-13-10-29-20(15(13)8-12)19(28)18(27)17(26)16(9-25)31-20/h1-6,8,16-19,25-28H,7,9-10H2/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 14.5n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190415
PNG
(5-methyl-(3S)-3-{[5-(2,2,2-trifluoro-1-hydroxy-1-t...)
Show SMILES CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:16|
Show InChI InChI=1S/C18H26F6N2O5/c1-9(2)6-10(7-13(27)30-15(3,4)5)25-14(28)11-8-12(31-26-11)16(29,17(19,20)21)18(22,23)24/h9-10,12,29H,6-8H2,1-5H3,(H,25,28)/t10-,12?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 16n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 16n/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 2 (SGLT2)


(Homo sapiens (Human))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 16.4n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50396773
PNG
(CHEMBL2172381)
Show SMILES OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(Cl)cc4)cc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21ClO6/c21-14-5-2-11(3-6-14)7-12-1-4-13-10-26-20(15(13)8-12)19(25)18(24)17(23)16(9-22)27-20/h1-6,8,16-19,22-25H,7,9-10H2/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 16.8n/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 inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50190416
PNG
(CHEMBL378896 | N-(3-(diisopropylamino)-3-oxopropyl...)
Show SMILES CC(C)N(C(C)C)C(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:14|
Show InChI InChI=1S/C16H23F6N3O4/c1-8(2)25(9(3)4)12(26)5-6-23-13(27)10-7-11(29-24-10)14(28,15(17,18)19)16(20,21)22/h8-9,11,28H,5-7H2,1-4H3,(H,23,27)
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n/an/a 17n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase


J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50386882
PNG
(CHEMBL2048492)
Show SMILES CCOc1ccc(Cc2ccc(CC)cc2)cc1[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H32O5/c1-3-15-5-7-16(8-6-15)11-17-9-10-21(29-4-2)19(12-17)20-13-18(14-25)22(26)24(28)23(20)27/h5-10,12,18,20,22-28H,3-4,11,13-14H2,1-2H3/t18-,20+,22-,23+,24+/m1/s1
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n/an/a 19n/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
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50351439
PNG
(CHEMBL1819492)
Show SMILES CSc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O5S/c1-27-16-8-6-13(7-9-16)10-14-4-2-3-5-17(14)26-18-11-15(12-22)19(23)21(25)20(18)24/h2-9,15,18-25H,10-12H2,1H3/t15-,18-,19-,20+,21+/m1/s1
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n/an/a 19n/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
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50186052
PNG
(CHEMBL210190 | N-(4-cyanobenzyl)-N-(5-(1,1,1,3,3,3...)
Show SMILES CC(C)C(=O)N(Cc1ccc(cc1)C#N)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H15F6N3O2S/c1-10(2)14(28)27(9-12-5-3-11(7-25)4-6-12)15-26-8-13(30-15)16(29,17(19,20)21)18(22,23)24/h3-6,8,10,29H,9H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50186053
PNG
(CHEMBL385355 | N-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)C(=O)N(Cc1ccncc1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H15F6N3O2S/c1-9(2)12(26)25(8-10-3-5-23-6-4-10)13-24-7-11(28-13)14(27,15(17,18)19)16(20,21)22/h3-7,9,27H,8H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens (Human))
BDBM50186047
PNG
(CHEMBL209430 | N-ethyl-N-(6-(1,1,1,3,3,3-hexafluor...)
Show SMILES CCN(C(=O)C(C)C)c1ccc(nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H16F6N2O2/c1-4-22(11(23)8(2)3)9-5-6-10(21-7-9)12(24,13(15,16)17)14(18,19)20/h5-8,24H,4H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair
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