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BDBM50308535 CHEMBL601712::methyl (14E)-14-ethylidene-6-methoxy-2-methyl-19-[(propanoyloxy)methyl]-18-oxa-2,12-diazahexacyclo[9.6.1.1^{9,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3(8),4,6-triene-19-carboxylate

SMILES: CCC(=O)OC[C@]1([C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2)C(=O)OC

InChI Key: InChIKey=QFMJKUUFXXEIGZ-ANTLQJRQSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50308535   
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))
BDBM50308535
PNG
(CHEMBL601712 | methyl (14E)-14-ethylidene-6-methox...)
Show SMILES CCC(=O)OC[C@]1([C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2)C(=O)OC |r|
Show InChI InChI=1S/C26H32N2O6/c1-6-15-13-28-20-11-17(15)24(23(30)32-5,14-33-22(29)7-2)25-12-21(28)34-26(20,25)27(3)19-9-8-16(31-4)10-18(19)25/h6,8-10,17,20-21H,7,11-14H2,1-5H3/b15-6-/t17-,20-,21-,24-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...


Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50308535
PNG
(CHEMBL601712 | methyl (14E)-14-ethylidene-6-methox...)
Show SMILES CCC(=O)OC[C@]1([C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2)C(=O)OC |r|
Show InChI InChI=1S/C26H32N2O6/c1-6-15-13-28-20-11-17(15)24(23(30)32-5,14-33-22(29)7-2)25-12-21(28)34-26(20,25)27(3)19-9-8-16(31-4)10-18(19)25/h6,8-10,17,20-21H,7,11-14H2,1-5H3/b15-6-/t17-,20-,21-,24-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...


Bioorg Med Chem 18: 2152-8 (2010)


Article DOI: 10.1016/j.bmc.2010.01.077
BindingDB Entry DOI: 10.7270/Q2HD7VSQ
More data for this
Ligand-Target Pair