Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' and Ligand = 'BDBM50437890'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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)	BDBM50437890 (CHEMBL2407936 | CHEMBL2407938) Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells				Bioorg Med Chem Lett 23: 4627-32 (2013) Article DOI: 10.1016/j.bmcl.2013.06.017 BindingDB Entry DOI: 10.7270/Q2833TF1
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50437890 (CHEMBL2407936 | CHEMBL2407938) Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3	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	270	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPBAR1 expressed in CHO cells				Bioorg Med Chem Lett 23: 4627-32 (2013) Article DOI: 10.1016/j.bmcl.2013.06.017 BindingDB Entry DOI: 10.7270/Q2833TF1
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50437890 (CHEMBL2407936 | CHEMBL2407938) Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3	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	2.90E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production				Bioorg Med Chem Lett 23: 4627-32 (2013) Article DOI: 10.1016/j.bmcl.2013.06.017 BindingDB Entry DOI: 10.7270/Q2833TF1
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50437890 (CHEMBL2407936 | CHEMBL2407938) Show SMILES CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C22H23N3O/c1-25(2)20-10-8-18(9-11-20)21(17-6-4-3-5-7-17)16-22(24-26)19-12-14-23-15-13-19/h3-15,21-22H,16H2,1-2H3	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	45	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPBAR1 expressed in CHO cells				Bioorg Med Chem Lett 23: 4627-32 (2013) Article DOI: 10.1016/j.bmcl.2013.06.017 BindingDB Entry DOI: 10.7270/Q2833TF1
					More data for this Ligand-Target Pair