null

SMILES: CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1

InChI Key: InChIKey=ZMUYJZWTONAUSI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306718   

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
Bile acid receptor (Mus musculus)	BDBM50306718 (CHEMBL602894 | Isopropyl 1,1-Dimethyl-3-[4-(2-morp...) Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6| Show InChI InChI=1S/C31H37N3O5/c1-21(2)39-30(36)25-19-34(20-31(3,4)27-24-7-5-6-8-26(24)32-28(25)27)29(35)22-9-11-23(12-10-22)38-18-15-33-13-16-37-17-14-33/h5-12,19,21,32H,13-18,20H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at mouse FXR-LBD expressed in HEL293 cells by Gal4-luciferase assay				J Med Chem 53: 1774-87 (2010) Article DOI: 10.1021/jm901650u BindingDB Entry DOI: 10.7270/Q24F1QT5
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50306718 (CHEMBL602894 | Isopropyl 1,1-Dimethyl-3-[4-(2-morp...) Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6| Show InChI InChI=1S/C31H37N3O5/c1-21(2)39-30(36)25-19-34(20-31(3,4)27-24-7-5-6-8-26(24)32-28(25)27)29(35)22-9-11-23(12-10-22)38-18-15-33-13-16-37-17-14-33/h5-12,19,21,32H,13-18,20H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	249	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at human FXR-LBD expressed in HEL293 cells by Gal4-luciferase assay				J Med Chem 53: 1774-87 (2010) Article DOI: 10.1021/jm901650u BindingDB Entry DOI: 10.7270/Q24F1QT5
					More data for this Ligand-Target Pair