BDBM50258144 CHEMBL4064512

SMILES: Cc1ccc2nc(-c3ccco3)c(NCc3ccccc3)n2c1

InChI Key: InChIKey=VXSVUEQPIRIKFB-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 50258144   

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))	BDBM50258144 (CHEMBL4064512) Show SMILES Cc1ccc2nc(-c3ccco3)c(NCc3ccccc3)n2c1 Show InChI InChI=1S/C19H17N3O/c1-14-9-10-17-21-18(16-8-5-11-23-16)19(22(17)13-14)20-12-15-6-3-2-4-7-15/h2-11,13,20H,12H2,1H3	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	560	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany. Curated by ChEMBL					Assay Description Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay				J Med Chem 60: 7199-7205 (2017) Article DOI: 10.1021/acs.jmedchem.7b00903 BindingDB Entry DOI: 10.7270/Q2736TBH
					More data for this Ligand-Target Pair