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BDBM50381554 CHEMBL2018096

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1

InChI Key: InChIKey=AHFWIQIYAXSLBA-RQXATKFSSA-N

Data: 4 IC50  2 EC50

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 6 hits for monomerid = 50381554   
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))
BDBM50381554
PNG
(CHEMBL2018096)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
PDB

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MCE
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PubMed
n/an/a 7.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG accumulation after 2 hrs by scintillation counting


Bioorg Med Chem 20: 3263-79 (2012)


Article DOI: 10.1016/j.bmc.2012.03.051
BindingDB Entry DOI: 10.7270/Q2W66MSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50381554
PNG
(CHEMBL2018096)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
PDB

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antibodypedia
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PubMed
n/an/a 8.40n/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
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50381554
PNG
(CHEMBL2018096)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
PDB

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n/an/an/an/a 7.40n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT2 (unknown origin)


J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50381554
PNG
(CHEMBL2018096)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a 7.40n/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
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50381554
PNG
(CHEMBL2018096)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
MCE
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UniChem

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Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of SGLT1 (unknown origin)


J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50381554
PNG
(CHEMBL2018096)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.88E+3n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111773
More data for this
Ligand-Target Pair