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BDBM50340014 4-((5-(4-chlorobenzylthio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)-6-(trifluoromethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one::CHEMBL1762483

SMILES: Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1

InChI Key: InChIKey=XCSRSXRUZPDJHS-UHFFFAOYSA-N

Data: 6 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50340014   
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))
BDBM50340014
PNG
(4-((5-(4-chlorobenzylthio)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClF3N4OS2/c1-27-17(25-26-19(27)31-10-12-2-5-14(21)6-3-12)9-28-15-8-13(20(22,23)24)4-7-16(15)30-11-18(28)29/h2-8H,9-11H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillat...


Bioorg Med Chem Lett 21: 2472-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.056
BindingDB Entry DOI: 10.7270/Q25Q4WD2
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50340014
PNG
(4-((5-(4-chlorobenzylthio)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClF3N4OS2/c1-27-17(25-26-19(27)31-10-12-2-5-14(21)6-3-12)9-28-15-8-13(20(22,23)24)4-7-16(15)30-11-18(28)29/h2-8H,9-11H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillat...


Bioorg Med Chem Lett 21: 2472-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.056
BindingDB Entry DOI: 10.7270/Q25Q4WD2
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 1 (SGLT1)


(Mus musculus (Mouse))
BDBM50340014
PNG
(4-((5-(4-chlorobenzylthio)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClF3N4OS2/c1-27-17(25-26-19(27)31-10-12-2-5-14(21)6-3-12)9-28-15-8-13(20(22,23)24)4-7-16(15)30-11-18(28)29/h2-8H,9-11H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillat...


Bioorg Med Chem Lett 21: 2472-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.056
BindingDB Entry DOI: 10.7270/Q25Q4WD2
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Rattus norvegicus)
BDBM50340014
PNG
(4-((5-(4-chlorobenzylthio)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClF3N4OS2/c1-27-17(25-26-19(27)31-10-12-2-5-14(21)6-3-12)9-28-15-8-13(20(22,23)24)4-7-16(15)30-11-18(28)29/h2-8H,9-11H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillatio...


Bioorg Med Chem Lett 21: 2472-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.056
BindingDB Entry DOI: 10.7270/Q25Q4WD2
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50340014
PNG
(4-((5-(4-chlorobenzylthio)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClF3N4OS2/c1-27-17(25-26-19(27)31-10-12-2-5-14(21)6-3-12)9-28-15-8-13(20(22,23)24)4-7-16(15)30-11-18(28)29/h2-8H,9-11H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillat...


Bioorg Med Chem Lett 21: 2472-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.056
BindingDB Entry DOI: 10.7270/Q25Q4WD2
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Rattus norvegicus)
BDBM50340014
PNG
(4-((5-(4-chlorobenzylthio)-4-methyl-4H-1,2,4-triaz...)
Show SMILES Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClF3N4OS2/c1-27-17(25-26-19(27)31-10-12-2-5-14(21)6-3-12)9-28-15-8-13(20(22,23)24)4-7-16(15)30-11-18(28)29/h2-8H,9-11H2,1H3
PDB

KEGG

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CHEMBL
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PC sid
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n/an/a 400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillatio...


Bioorg Med Chem Lett 21: 2472-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.056
BindingDB Entry DOI: 10.7270/Q25Q4WD2
More data for this
Ligand-Target Pair