BDBM50266573 CHEMBL4104779::US10323016, Example 13

SMILES: COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccccc1

InChI Key: InChIKey=YCQSXPGNRWLUMG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50266573   

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 (Homo sapiens (Human))	BDBM50266573 (CHEMBL4104779 | US10323016, Example 13) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccccc1 Show InChI InChI=1S/C25H23F2N3O2S/c1-29(18-12-13-22(31-2)23(14-18)32-3)24-15-28-25(30(24)17-8-5-4-6-9-17)33-16-19-20(26)10-7-11-21(19)27/h4-15H,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description In the following tables TGR5 activation by compounds and subsequent increase in intracellular cAMP were evaluated using a luciferase reporter gene as...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q22Z17WT
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266573 (CHEMBL4104779 | US10323016, Example 13) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccccc1 Show InChI InChI=1S/C25H23F2N3O2S/c1-29(18-12-13-22(31-2)23(14-18)32-3)24-15-28-25(30(24)17-8-5-4-6-9-17)33-16-19-20(26)10-7-11-21(19)27/h4-15H,16H2,1-3H3	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	254	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
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266573 (CHEMBL4104779 | US10323016, Example 13) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccccc1 Show InChI InChI=1S/C25H23F2N3O2S/c1-29(18-12-13-22(31-2)23(14-18)32-3)24-15-28-25(30(24)17-8-5-4-6-9-17)33-16-19-20(26)10-7-11-21(19)27/h4-15H,16H2,1-3H3	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	5.10	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 (Mus musculus)	BDBM50266573 (CHEMBL4104779 | US10323016, Example 13) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccccc1 Show InChI InChI=1S/C25H23F2N3O2S/c1-29(18-12-13-22(31-2)23(14-18)32-3)24-15-28-25(30(24)17-8-5-4-6-9-17)33-16-19-20(26)10-7-11-21(19)27/h4-15H,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description In the following tables TGR5 activation by compounds and subsequent increase in intracellular cAMP were evaluated using a luciferase reporter gene as...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q22Z17WT
					More data for this Ligand-Target Pair