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BDBM270292 (2S,3R)-3-(3-((3-((2,5-Bis(trifluoromethyl)benzyl)amino)cyclobutyl)methoxy)phenyl)-3-cyclopropyl-2-methylpropanoic acid::US10059667, Example 13

SMILES: OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCN(C2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1

InChI Key: InChIKey=NZXYAOUTNUFXSR-VRKAEBGNNA-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 = 270292   
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM270292
PNG
((2S,3R)-3-(3-((3-((2,5-Bis(trifluoromethyl)benzyl)...)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCN(C2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1/C25H25F6NO3/c26-24(27,28)18-6-7-21(25(29,30)31)22(11-18)32-9-8-15(13-32)14-35-19-3-1-2-17(10-19)20(12-23(33)34)16-4-5-16/h1-3,6-7,10-11,15-16,20H,4-5,8-9,12-14H2,(H,33,34)/t15?,20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 1.85E+3n/an/an/a25



Merck Sharp & Dohme Corp

US Patent


Assay Description
The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the pl...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM270292
PNG
((2S,3R)-3-(3-((3-((2,5-Bis(trifluoromethyl)benzyl)...)
Show SMILES OC(=O)C[C@@H](C1CC1)c1cccc(OCC2CCN(C2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1/C25H25F6NO3/c26-24(27,28)18-6-7-21(25(29,30)31)22(11-18)32-9-8-15(13-32)14-35-19-3-1-2-17(10-19)20(12-23(33)34)16-4-5-16/h1-3,6-7,10-11,15-16,20H,4-5,8-9,12-14H2,(H,33,34)/t15?,20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 129n/an/a7.425



Merck Sharp & Dohme Corp

US Patent


Assay Description
FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clon...


US Patent US10059667 (2018)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2348ND6
More data for this
Ligand-Target Pair