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BDBM104489 US8575114, I-1

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccccn3c2=O)c1

InChI Key: InChIKey=UXGKLQMLYTUINP-LHKMKVQPSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 104489   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 82.8n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The inhibitory activity of the compounds of this invention against the SGLT-1 or SGLT-2 transporters.


US Patent US8575114 (2013)


BindingDB Entry DOI: 10.7270/Q23B5XTT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/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 (SGLT1)


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.42E+4n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The inhibitory activity of the compounds of this invention against the SGLT-1 or SGLT-2 transporters.


US Patent US8575114 (2013)


BindingDB Entry DOI: 10.7270/Q23B5XTT
More data for this
Ligand-Target Pair