BDBM50081114 CHEMBL3421902

SMILES: Clc1cc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(Cl)cc1CCC(=O)NCCOCCOCCOCCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl

InChI Key: InChIKey=MFMRXWDCIXCIMX-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 = 50081114   

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))	BDBM50081114 (CHEMBL3421902) Show SMILES Clc1cc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(Cl)cc1CCC(=O)NCCOCCOCCOCCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C60H62Cl4N8O9/c61-45-35-55(80-53-17-19-65-37-43(53)59(75)71-25-23-69(41-11-12-41)49-5-1-3-7-51(49)71)47(63)33-39(45)9-15-57(73)67-21-27-77-29-31-79-32-30-78-28-22-68-58(74)16-10-40-34-48(64)56(36-46(40)62)81-54-18-20-66-38-44(54)60(76)72-26-24-70(42-13-14-42)50-6-2-4-8-52(50)72/h1-8,17-20,33-38,41-42H,9-16,21-32H2,(H,67,73)(H,68,74)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay				J Med Chem 58: 3315-28 (2015) Article DOI: 10.1021/jm500829b BindingDB Entry DOI: 10.7270/Q2BV7JB3
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50081114 (CHEMBL3421902) Show SMILES Clc1cc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(Cl)cc1CCC(=O)NCCOCCOCCOCCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C60H62Cl4N8O9/c61-45-35-55(80-53-17-19-65-37-43(53)59(75)71-25-23-69(41-11-12-41)49-5-1-3-7-51(49)71)47(63)33-39(45)9-15-57(73)67-21-27-77-29-31-79-32-30-78-28-22-68-58(74)16-10-40-34-48(64)56(36-46(40)62)81-54-18-20-66-38-44(54)60(76)72-26-24-70(42-13-14-42)50-6-2-4-8-52(50)72/h1-8,17-20,33-38,41-42H,9-16,21-32H2,(H,67,73)(H,68,74)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay				J Med Chem 58: 3315-28 (2015) Article DOI: 10.1021/jm500829b BindingDB Entry DOI: 10.7270/Q2BV7JB3
					More data for this Ligand-Target Pair