BDBM50450272 CHEMBL4159019

SMILES: COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1)C(O)=O

InChI Key: InChIKey=PQHYNNTWXALAOX-NZQKXSOJSA-N

Data: 1 KI  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 3 hits for monomerid = 50450272   

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 2 (Homo sapiens (Human))	BDBM50450272 (CHEMBL4159019) Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H21NO4S/c1-29-21-10-6-5-9-19(21)16-11-13-17(14-12-16)22(26)25-20(24(27)28)15-30-23(25)18-7-3-2-4-8-18/h2-14,20,23H,15H2,1H3,(H,27,28)/t20-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry				J Med Chem 61: 9534-9550 (2018) Article DOI: 10.1021/acs.jmedchem.8b00855 BindingDB Entry DOI: 10.7270/Q28S4SFW
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM50450272 (CHEMBL4159019) Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H21NO4S/c1-29-21-10-6-5-9-19(21)16-11-13-17(14-12-16)22(26)25-20(24(27)28)15-30-23(25)18-7-3-2-4-8-18/h2-14,20,23H,15H2,1H3,(H,27,28)/t20-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Agonist activity to human FFA2R expressed in HEK293T cells assessed as induction beta-arrestin-2 recruitment after 10 mins by BRET assay				J Med Chem 61: 9534-9550 (2018) Article DOI: 10.1021/acs.jmedchem.8b00855 BindingDB Entry DOI: 10.7270/Q28S4SFW
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM50450272 (CHEMBL4159019) Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H21NO4S/c1-29-21-10-6-5-9-19(21)16-11-13-17(14-12-16)22(26)25-20(24(27)28)15-30-23(25)18-7-3-2-4-8-18/h2-14,20,23H,15H2,1H3,(H,27,28)/t20-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	933	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Agonist activity at human FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...				J Med Chem 61: 9534-9550 (2018) Article DOI: 10.1021/acs.jmedchem.8b00855 BindingDB Entry DOI: 10.7270/Q28S4SFW
					More data for this Ligand-Target Pair