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BDBM50106207 CHEMBL3598100

SMILES: C[C@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=CRMDMXFYUNDUFA-KKUMJFAQSA-N

Data: 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 3 hits for monomerid = 50106207   
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))
BDBM50106207
PNG
(CHEMBL3598100)
Show SMILES C[C@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F |r,wU:15.19,1.0,wD:12.12,(-2.36,10.63,;-1.3,10.01,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;.04,10.77,;.05,12.01,;1.1,10.15,;1.11,11.38,)|
Show InChI InChI=1S/C20H28F3N3O6S/c1-13(20(21,22)23)30-19(27)26-9-7-16(8-10-26)31-14-3-5-15(6-4-14)32-17-11-25-18(12-24-17)33(2,28)29/h11-16H,3-10H2,1-2H3/t13-,14-,15-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 4.80n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 by HTRF cAMP assay


Bioorg Med Chem Lett 25: 3034-8 (2015)


BindingDB Entry DOI: 10.7270/Q2SB47JS
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)
BDBM50106207
PNG
(CHEMBL3598100)
Show SMILES C[C@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F |r,wU:15.19,1.0,wD:12.12,(-2.36,10.63,;-1.3,10.01,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;.04,10.77,;.05,12.01,;1.1,10.15,;1.11,11.38,)|
Show InChI InChI=1S/C20H28F3N3O6S/c1-13(20(21,22)23)30-19(27)26-9-7-16(8-10-26)31-14-3-5-15(6-4-14)32-17-11-25-18(12-24-17)33(2,28)29/h11-16H,3-10H2,1-2H3/t13-,14-,15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 50n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR119 by HTRF cAMP assay


Bioorg Med Chem Lett 25: 3034-8 (2015)


BindingDB Entry DOI: 10.7270/Q2SB47JS
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50106207
PNG
(CHEMBL3598100)
Show SMILES C[C@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F |r,wU:15.19,1.0,wD:12.12,(-2.36,10.63,;-1.3,10.01,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;.04,10.77,;.05,12.01,;1.1,10.15,;1.11,11.38,)|
Show InChI InChI=1S/C20H28F3N3O6S/c1-13(20(21,22)23)30-19(27)26-9-7-16(8-10-26)31-14-3-5-15(6-4-14)32-17-11-25-18(12-24-17)33(2,28)29/h11-16H,3-10H2,1-2H3/t13-,14-,15-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 53n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 by serum shift assay


Bioorg Med Chem Lett 25: 3034-8 (2015)


BindingDB Entry DOI: 10.7270/Q2SB47JS
More data for this
Ligand-Target Pair