BDBM50327520 CHEMBL1258310::N-(4-chlorobenzyl)-1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)methanamine

SMILES: COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1

InChI Key: InChIKey=WAGYXCGXJVEIFG-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 = 50327520   

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)	BDBM50327520 (CHEMBL1258310 | N-(4-chlorobenzyl)-1-(7-methoxy-2-...) Show SMILES COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	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))	BDBM50327520 (CHEMBL1258310 | N-(4-chlorobenzyl)-1-(7-methoxy-2-...) Show SMILES COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	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