BDBM28531 Azepino[4,5-b]indole, 6b::propyl 3-[(4-fluorophenyl)carbonyl]-1H,2H,3H,6H-azepino[4,5-b]indole-5-carboxylate

SMILES: CCCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=UXWXMEIWIMCRLD-UHFFFAOYSA-N

Data: 1 EC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 28531   

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 (Homo sapiens (Human))	BDBM28531 (Azepino[4,5-b]indole, 6b | propyl 3-[(4-fluorophen...) Show SMILES CCCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6| Show InChI InChI=1S/C23H21FN2O3/c1-2-13-29-23(28)19-14-26(22(27)15-7-9-16(24)10-8-15)12-11-18-17-5-3-4-6-20(17)25-21(18)19/h3-10,14,25H,2,11-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	7.0	22
Exelixis Inc.					Assay Description The assays were performed using CV-1 African Green Monkey Kidney cells transfected with the vectors harboring human FXR, RXR, and luciferase reporter...				J Med Chem 52: 904-7 (2009) Article DOI: 10.1021/jm8014124 BindingDB Entry DOI: 10.7270/Q2J38QVJ
					More data for this Ligand-Target Pair