BDBM50399948 CHEMBL2181237

SMILES: CC(C)N1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc12

InChI Key: InChIKey=QEXKLMHUBWUPMZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50399948   

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))	BDBM50399948 (CHEMBL2181237) Show SMILES CC(C)N1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc12 Show InChI InChI=1S/C23H21Cl2N3O2/c1-15(2)27-11-12-28(20-6-4-3-5-19(20)27)23(29)17-14-26-10-9-21(17)30-22-13-16(24)7-8-18(22)25/h3-10,13-15H,11-12H2,1-2H3	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	69	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 55: 10475-89 (2012) Article DOI: 10.1021/jm301071h BindingDB Entry DOI: 10.7270/Q2H70H0W
					More data for this Ligand-Target Pair