BDBM50327543 3-((4-bromophenethylamino)methyl)-6-methoxy-2-(thiophen-3-yl)quinolin-7-ol::CHEMBL1257854

SMILES: COc1cc2cc(CNCCc3ccc(Br)cc3)c(nc2cc1O)-c1ccsc1

InChI Key: InChIKey=QRFOISCEXWBIAM-UHFFFAOYSA-N

Data: 2 IC50

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 = 50327543   

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)	BDBM50327543 (3-((4-bromophenethylamino)methyl)-6-methoxy-2-(thi...) Show SMILES COc1cc2cc(CNCCc3ccc(Br)cc3)c(nc2cc1O)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2O2S/c1-28-22-11-17-10-18(13-25-8-6-15-2-4-19(24)5-3-15)23(16-7-9-29-14-16)26-20(17)12-21(22)27/h2-5,7,9-12,14,25,27H,6,8,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327543 (3-((4-bromophenethylamino)methyl)-6-methoxy-2-(thi...) Show SMILES COc1cc2cc(CNCCc3ccc(Br)cc3)c(nc2cc1O)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2O2S/c1-28-22-11-17-10-18(13-25-8-6-15-2-4-19(24)5-3-15)23(16-7-9-29-14-16)26-20(17)12-21(22)27/h2-5,7,9-12,14,25,27H,6,8,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair