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BDBM50531658 CHEMBL4585712

SMILES: Cc1nc(sc1COc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=AMTRKBPBJHCYSM-UHFFFAOYSA-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 = 50531658   
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))
BDBM50531658
PNG
(CHEMBL4585712)
Show SMILES Cc1nc(sc1COc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO4S/c1-12-9-16(7-8-17(12)29-11-19(26)27)28-10-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Guangdong Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells by Fluo 4-AM dye based FLIPR assay


Eur J Med Chem 164: 352-365 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.069
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50531658
PNG
(CHEMBL4585712)
Show SMILES Cc1nc(sc1COc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO4S/c1-12-9-16(7-8-17(12)29-11-19(26)27)28-10-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 315n/an/an/an/a



Guangdong Pharmaceutical University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARdelta LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay


Eur J Med Chem 164: 352-365 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.069
More data for this
Ligand-Target Pair