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BDBM50106217 CHEMBL3598110

SMILES: CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC3(CCCC3)C(F)(F)F)CC2)cn1

InChI Key: InChIKey=XIPBWXALMSQPHS-IYARVYRRSA-N

Data: 2 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 2 hits for monomerid = 50106217   
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
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)
BDBM50106217
PNG
(CHEMBL3598110)
Show SMILES CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC3(CCCC3)C(F)(F)F)CC2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-2.65,7.7,;-1.31,8.47,;.05,9.12,;1.07,7.97,;.29,6.64,;-1.21,6.97,;-1.3,10.01,;-2.36,10.63,;-1.29,11.24,;-.23,10.62,;-1.32,5.39,;-1.33,3.85,;4,.77,;5.33,1.55,)|
Show InChI InChI=1S/C23H34F3N3O4S/c1-34(30,31)21-15-27-20(14-28-21)33-18-6-4-17(5-7-18)32-19-8-12-29(13-9-19)16-22(23(24,25)26)10-2-3-11-22/h14-15,17-19H,2-13,16H2,1H3/t17-,18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 101n/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))
BDBM50106217
PNG
(CHEMBL3598110)
Show SMILES CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC3(CCCC3)C(F)(F)F)CC2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-2.65,7.7,;-1.31,8.47,;.05,9.12,;1.07,7.97,;.29,6.64,;-1.21,6.97,;-1.3,10.01,;-2.36,10.63,;-1.29,11.24,;-.23,10.62,;-1.32,5.39,;-1.33,3.85,;4,.77,;5.33,1.55,)|
Show InChI InChI=1S/C23H34F3N3O4S/c1-34(30,31)21-15-27-20(14-28-21)33-18-6-4-17(5-7-18)32-19-8-12-29(13-9-19)16-22(23(24,25)26)10-2-3-11-22/h14-15,17-19H,2-13,16H2,1H3/t17-,18-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 49n/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