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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 176727   
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))
BDBM176727
PNG
(US9688710, 149 1-(1-hydroxy-2-methylpropan-2-yl)-3...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCNC(=O)NC(C)(C)CO)cc2)c1 |r|
Show InChI InChI=1S/C27H38N2O7S/c1-16-5-8-18(24-22(32)21(31)23(33)25(36-24)37-4)14-19(16)13-17-6-9-20(10-7-17)35-12-11-28-26(34)29-27(2,3)15-30/h5-10,14,21-25,30-33H,11-13,15H2,1-4H3,(H2,28,29,34)/t21-,22-,23+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM176727
PNG
(US9688710, 149 1-(1-hydroxy-2-methylpropan-2-yl)-3...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCNC(=O)NC(C)(C)CO)cc2)c1 |r|
Show InChI InChI=1S/C27H38N2O7S/c1-16-5-8-18(24-22(32)21(31)23(33)25(36-24)37-4)14-19(16)13-17-6-9-20(10-7-17)35-12-11-28-26(34)29-27(2,3)15-30/h5-10,14,21-25,30-33H,11-13,15H2,1-4H3,(H2,28,29,34)/t21-,22-,23+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.3n/a



Lexicon Pharmaceuticals, Inc.

US Patent


Assay Description
Human sodium/glucose co-transporter type 2 (SGLT2; accession number P31639; GI:400337) was cloned into pIRESpuro2 vector for mammalian expression (co...


US Patent US9688710 (2017)


BindingDB Entry DOI: 10.7270/Q2154F7P
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM176727
PNG
(US9688710, 149 1-(1-hydroxy-2-methylpropan-2-yl)-3...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCNC(=O)NC(C)(C)CO)cc2)c1 |r|
Show InChI InChI=1S/C27H38N2O7S/c1-16-5-8-18(24-22(32)21(31)23(33)25(36-24)37-4)14-19(16)13-17-6-9-20(10-7-17)35-12-11-28-26(34)29-27(2,3)15-30/h5-10,14,21-25,30-33H,11-13,15H2,1-4H3,(H2,28,29,34)/t21-,22-,23+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...


J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM176727
PNG
(US9688710, 149 1-(1-hydroxy-2-methylpropan-2-yl)-3...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCNC(=O)NC(C)(C)CO)cc2)c1 |r|
Show InChI InChI=1S/C27H38N2O7S/c1-16-5-8-18(24-22(32)21(31)23(33)25(36-24)37-4)14-19(16)13-17-6-9-20(10-7-17)35-12-11-28-26(34)29-27(2,3)15-30/h5-10,14,21-25,30-33H,11-13,15H2,1-4H3,(H2,28,29,34)/t21-,22-,23+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/a7.3n/a



Lexicon Pharmaceuticals, Inc.

US Patent


Assay Description
Human sodium/glucose co-transporter type 1 (SGLT1; accession number NP_000334; GI: 4507031) was cloned into pIRESpuro2 vector for mammalian expressio...


US Patent US9688710 (2017)


BindingDB Entry DOI: 10.7270/Q2154F7P
More data for this
Ligand-Target Pair