BDBM50399941 CHEMBL2181242

SMILES: CN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1C

InChI Key: InChIKey=PUIKEQABOOXLQY-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 = 50399941   

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))	BDBM50399941 (CHEMBL2181242) Show SMILES CN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1C Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-5-3-4-6-16(12)24(2)19(25)14-10-22-11-23-18(14)26-17-9-13(20)7-8-15(17)21/h3-11H,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	535	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