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BDBM300901 (2S,3R)-3-cyclopropyl-3-((R or S)-2-(2-fluoro-4-(2-methoxypyridin-4-yl)phenyl)-2,3,4,5-tetrahydrobenzo[b]oxepin-8-yl)-2-methylpropanoic acid::BDBM300902::US10131651, Example 1

SMILES: COc1cc(ccn1)-c1ccc(C2CCCc3ccc(cc3O2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1

InChI Key: InChIKey=VSWCESGSUWPDIW-PVSZVXCSSA-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 = 300901   
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))
BDBM300901
PNG
((2S,3R)-3-cyclopropyl-3-((R or S)-2-(2-fluoro-4-(2...)
Show SMILES COc1cc(ccn1)-c1ccc(C2CCCc3ccc(cc3O2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1
Show InChI InChI=1S/C29H30FNO4/c1-17(29(32)33)28(19-7-8-19)22-9-6-18-4-3-5-25(35-26(18)15-22)23-11-10-20(14-24(23)30)21-12-13-31-27(16-21)34-2/h6,9-17,19,25,28H,3-5,7-8H2,1-2H3,(H,32,33)/t17-,25?,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay is performed in 384-well format. HEK cells stably expressing human GPR40 are plated at 15,000 cells per well in growth medium (DMEM/10% fet...


US Patent US10131651 (2018)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM300901
PNG
((2S,3R)-3-cyclopropyl-3-((R or S)-2-(2-fluoro-4-(2...)
Show SMILES COc1cc(ccn1)-c1ccc(C2CCCc3ccc(cc3O2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1
Show InChI InChI=1S/C29H30FNO4/c1-17(29(32)33)28(19-7-8-19)22-9-6-18-4-3-5-25(35-26(18)15-22)23-11-10-20(14-24(23)30)21-12-13-31-27(16-21)34-2/h6,9-17,19,25,28H,3-5,7-8H2,1-2H3,(H,32,33)/t17-,25?,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.60n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay is performed in 384-well format. HEK cells stably expressing human GPR40 are plated at 15,000 cells per well in growth medium (DMEM/10% fet...


US Patent US10131651 (2018)

More data for this
Ligand-Target Pair