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BDBM50351436 CHEMBL1819490

SMILES: OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(C=C)cc2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=XMCDYVKGGTVBKO-IWTFSIHTSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50351436   
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 1 (SGLT1)


(Homo sapiens (Human))
BDBM50351436
PNG
(CHEMBL1819490)
Show SMILES OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(C=C)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H26O5/c1-2-14-7-9-15(10-8-14)11-16-5-3-4-6-18(16)27-19-12-17(13-23)20(24)22(26)21(19)25/h2-10,17,19-26H,1,11-13H2/t17-,19-,20-,21+,22+/m1/s1
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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 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
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50351436
PNG
(CHEMBL1819490)
Show SMILES OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(C=C)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H26O5/c1-2-14-7-9-15(10-8-14)11-16-5-3-4-6-18(16)27-19-12-17(13-23)20(24)22(26)21(19)25/h2-10,17,19-26H,1,11-13H2/t17-,19-,20-,21+,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 29n/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