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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50456530'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50456530
PNG
(CHEMBL4210871)
Show SMILES Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FNO5S2/c1-12-17(27-19(21-12)13-2-4-14(20)5-3-13)10-26-15-6-8-16(9-7-15)28(24,25)11-18(22)23/h2-9H,10-11H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 253n/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
BindingDB Entry DOI: 10.7270/Q2V1289T
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50456530
PNG
(CHEMBL4210871)
Show SMILES Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FNO5S2/c1-12-17(27-19(21-12)13-2-4-14(20)5-3-13)10-26-15-6-8-16(9-7-15)28(24,25)11-18(22)23/h2-9H,10-11H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 191n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo 4AM dye-based FLIPR assay

Eur J Med Chem 138: 458-479 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.001
BindingDB Entry DOI: 10.7270/Q269765Z
More data for this
Ligand-Target Pair