BDBM50266541 CHEMBL4069569

SMILES: COC(=O)CCc1nc(SCc2c(F)cccc2F)n(c1N(C)c1ccc(OC)c(OC)c1)-c1ccc(F)cc1

InChI Key: InChIKey=GYOAXIGPIFOLQA-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 = 50266541   

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
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266541 (CHEMBL4069569) Show SMILES COC(=O)CCc1nc(SCc2c(F)cccc2F)n(c1N(C)c1ccc(OC)c(OC)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28F3N3O4S/c1-34(20-12-14-25(37-2)26(16-20)38-3)28-24(13-15-27(36)39-4)33-29(35(28)19-10-8-18(30)9-11-19)40-17-21-22(31)6-5-7-23(21)32/h5-12,14,16H,13,15,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266541 (CHEMBL4069569) Show SMILES COC(=O)CCc1nc(SCc2c(F)cccc2F)n(c1N(C)c1ccc(OC)c(OC)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28F3N3O4S/c1-34(20-12-14-25(37-2)26(16-20)38-3)28-24(13-15-27(36)39-4)33-29(35(28)19-10-8-18(30)9-11-19)40-17-21-22(31)6-5-7-23(21)32/h5-12,14,16H,13,15,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair