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BDBM50447286 CHEMBL3113992

SMILES: OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=FTXKDYBMOPKENQ-UHFFFAOYSA-N

Data: 2 IC50  1 Kd  3 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50447286   
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
Glucokinase


(Mus musculus (Mouse))
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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PC sid
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Article
PubMed
n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...


J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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Article
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n/an/a 1.42E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...


J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Glucokinase regulatory protein


(Homo sapiens)
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotin-tagged human GKRP-fluorescein-tagged human GK interaction preincubated for 20 mins followed by fluorescein-tagged human GK addit...


J Med Chem 57: 309-24 (2014)


Article DOI: 10.1021/jm4016735
BindingDB Entry DOI: 10.7270/Q2KW5HJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucokinase regulatory protein


(Homo sapiens)
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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n/an/an/a 240n/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GKRP (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 309-24 (2014)


Article DOI: 10.1021/jm4016735
BindingDB Entry DOI: 10.7270/Q2KW5HJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucokinase regulatory protein


(Rattus norvegicus)
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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n/an/an/an/a 3.64E+3n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GKRP-GK interaction in rat primary hepatocytes assessed as translocation of GK from nucleus to cytoplasm preincubated for 20 mins follo...


J Med Chem 57: 309-24 (2014)


Article DOI: 10.1021/jm4016735
BindingDB Entry DOI: 10.7270/Q2KW5HJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
PDB
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Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Activation of human glucokinase


J Med Chem 57: 309-24 (2014)


Article DOI: 10.1021/jm4016735
BindingDB Entry DOI: 10.7270/Q2KW5HJ4
More data for this
Ligand-Target Pair