BDBM50152731 CHEMBL3781779

SMILES: COc1ccc(cc1)-c1nc(C)c(COc2ccc3C(CC(O)=O)COc3c2)s1

InChI Key: InChIKey=YLMINLFFTIVZTE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50152731   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50152731 (CHEMBL3781779) Show SMILES COc1ccc(cc1)-c1nc(C)c(COc2ccc3C(CC(O)=O)COc3c2)s1 Show InChI InChI=1S/C22H21NO5S/c1-13-20(29-22(23-13)14-3-5-16(26-2)6-4-14)12-27-17-7-8-18-15(9-21(24)25)11-28-19(18)10-17/h3-8,10,15H,9,11-12H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	123	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay				Eur J Med Chem 113: 246-57 (2016) BindingDB Entry DOI: 10.7270/Q2FN1837
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50152731 (CHEMBL3781779) Show SMILES COc1ccc(cc1)-c1nc(C)c(COc2ccc3C(CC(O)=O)COc3c2)s1 Show InChI InChI=1S/C22H21NO5S/c1-13-20(29-22(23-13)14-3-5-16(26-2)6-4-14)12-27-17-7-8-18-15(9-21(24)25)11-28-19(18)10-17/h3-8,10,15H,9,11-12H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	156	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50152731 (CHEMBL3781779) Show SMILES COc1ccc(cc1)-c1nc(C)c(COc2ccc3C(CC(O)=O)COc3c2)s1 Show InChI InChI=1S/C22H21NO5S/c1-13-20(29-22(23-13)14-3-5-16(26-2)6-4-14)12-27-17-7-8-18-15(9-21(24)25)11-28-19(18)10-17/h3-8,10,15H,9,11-12H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	920	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
					More data for this Ligand-Target Pair