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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium/glucose cotransporter 2' and Ligand = 'BDBM50396779'   
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))
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


(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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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111773
BindingDB Entry DOI: 10.7270/Q2TT4V97
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Guangdong Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)


Bioorg Med Chem 26: 3947-3952 (2018)


Article DOI: 10.1016/j.bmc.2018.06.017
BindingDB Entry DOI: 10.7270/Q2P84FJN
More data for this
Ligand-Target Pair