BDBM50081118 CHEMBL3421898

SMILES: CCOC(=O)CN(C)C(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl

InChI Key: InChIKey=RXGLNLGKRTXXRW-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 = 50081118   

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)	BDBM50081118 (CHEMBL3421898) Show SMILES CCOC(=O)CN(C)C(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C31H32Cl2N4O5/c1-3-41-30(39)19-35(2)29(38)11-8-20-16-24(33)28(17-23(20)32)42-27-12-13-34-18-22(27)31(40)37-15-14-36(21-9-10-21)25-6-4-5-7-26(25)37/h4-7,12-13,16-18,21H,3,8-11,14-15,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.80E+3	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
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50081118 (CHEMBL3421898) Show SMILES CCOC(=O)CN(C)C(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C31H32Cl2N4O5/c1-3-41-30(39)19-35(2)29(38)11-8-20-16-24(33)28(17-23(20)32)42-27-12-13-34-18-22(27)31(40)37-15-14-36(21-9-10-21)25-6-4-5-7-26(25)37/h4-7,12-13,16-18,21H,3,8-11,14-15,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	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