BDBM50266575 CHEMBL4085777::US10323016, Example 14

SMILES: COc1ccc(cc1)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=JCKNYVPCZLTWCY-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 = 50266575   

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))	BDBM50266575 (CHEMBL4085777 | US10323016, Example 14) Show SMILES COc1ccc(cc1)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H25F2N3O3S/c1-30(18-10-13-23(33-3)24(14-18)34-4)25-15-29-26(31(25)17-8-11-19(32-2)12-9-17)35-16-20-21(27)6-5-7-22(20)28/h5-15H,16H2,1-4H3	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	7.70E+3	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 (Mus musculus)	BDBM50266575 (CHEMBL4085777 | US10323016, Example 14) Show SMILES COc1ccc(cc1)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H25F2N3O3S/c1-30(18-10-13-23(33-3)24(14-18)34-4)25-15-29-26(31(25)17-8-11-19(32-2)12-9-17)35-16-20-21(27)6-5-7-22(20)28/h5-15H,16H2,1-4H3	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	939	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))	BDBM50266575 (CHEMBL4085777 | US10323016, Example 14) Show SMILES COc1ccc(cc1)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H25F2N3O3S/c1-30(18-10-13-23(33-3)24(14-18)34-4)25-15-29-26(31(25)17-8-11-19(32-2)12-9-17)35-16-20-21(27)6-5-7-22(20)28/h5-15H,16H2,1-4H3	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	7.75E+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
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266575 (CHEMBL4085777 | US10323016, Example 14) Show SMILES COc1ccc(cc1)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H25F2N3O3S/c1-30(18-10-13-23(33-3)24(14-18)34-4)25-15-29-26(31(25)17-8-11-19(32-2)12-9-17)35-16-20-21(27)6-5-7-22(20)28/h5-15H,16H2,1-4H3	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	940	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