Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 373.3 BDBM50531668

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50531668 (CHEMBL4436948) Show SMILES Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccccc1 Show InChI InChI=1S/C19H16FNO4S/c1-12-17(26-19(21-12)13-5-3-2-4-6-13)10-24-14-7-8-16(15(20)9-14)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/a	n/a	n/a	n/a	374	n/a	n/a	n/a	n/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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50531668 (CHEMBL4436948) Show SMILES Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccccc1 Show InChI InChI=1S/C19H16FNO4S/c1-12-17(26-19(21-12)13-5-3-2-4-6-13)10-24-14-7-8-16(15(20)9-14)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/a	n/a	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2V1289T
					More data for this Ligand-Target Pair