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BDBM50364541 CHEMBL1951011

SMILES: CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C

InChI Key: InChIKey=FEGPUMZPRQGWFH-UHFFFAOYSA-N

Data: 1 KI  1 IC50  3 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 5 hits for monomerid = 50364541   
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
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50364541
PNG
(CHEMBL1951011)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
Show InChI InChI=1S/C21H26FN3O6S/c1-13(2)29-21(26)25-9-7-15(8-10-25)30-19-14(3)20(24-12-23-19)31-18-6-5-16(11-17(18)22)32(4,27)28/h5-6,11-13,15H,7-10H2,1-4H3
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Article
PubMed
53n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)


Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50364541
PNG
(CHEMBL1951011)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
Show InChI InChI=1S/C21H26FN3O6S/c1-13(2)29-21(26)25-9-7-15(8-10-25)30-19-14(3)20(24-12-23-19)31-18-6-5-16(11-17(18)22)32(4,27)28/h5-6,11-13,15H,7-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 9.70n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 receptor assessed as cAMP production by HTRF assay


Bioorg Med Chem Lett 22: 1750-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.092
BindingDB Entry DOI: 10.7270/Q26H4HW1
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50364541
PNG
(CHEMBL1951011)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
Show InChI InChI=1S/C21H26FN3O6S/c1-13(2)29-21(26)25-9-7-15(8-10-25)30-19-14(3)20(24-12-23-19)31-18-6-5-16(11-17(18)22)32(4,27)28/h5-6,11-13,15H,7-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 29n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 in HEK293 cells assessed as cAMP accumulation after 30 mins by CRE-beta-lactamase reporter gene assay


J Med Chem 56: 301-19 (2013)


Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)
BDBM50364541
PNG
(CHEMBL1951011)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
Show InChI InChI=1S/C21H26FN3O6S/c1-13(2)29-21(26)25-9-7-15(8-10-25)30-19-14(3)20(24-12-23-19)31-18-6-5-16(11-17(18)22)32(4,27)28/h5-6,11-13,15H,7-10H2,1-4H3
Reactome pathway
KEGG

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PubMed
n/an/an/an/a 55n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR119 receptor assessed as cAMP production by HTRF assay


Bioorg Med Chem Lett 22: 1750-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.092
BindingDB Entry DOI: 10.7270/Q26H4HW1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50364541
PNG
(CHEMBL1951011)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
Show InChI InChI=1S/C21H26FN3O6S/c1-13(2)29-21(26)25-9-7-15(8-10-25)30-19-14(3)20(24-12-23-19)31-18-6-5-16(11-17(18)22)32(4,27)28/h5-6,11-13,15H,7-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 22: 1750-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.092
BindingDB Entry DOI: 10.7270/Q26H4HW1
More data for this
Ligand-Target Pair