BDBM226004 FXR_97

SMILES: CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccn1)S(=O)(=O)c1cccs1

InChI Key: InChIKey=BVHJSALIFYYXCY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 226004   

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))	BDBM226004 (FXR_97) Show SMILES CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccn1)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C20H22N4O3S2/c1-14(2)22-20(25)24-17(16-6-3-4-9-21-16)12-15-8-10-23(13-18(15)24)29(26,27)19-7-5-11-28-19/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	7.4	n/a
D3R					Assay Description The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...				D3R 882: (2017) BindingDB Entry DOI: 10.7270/Q2MC8XWV
					More data for this Ligand-Target Pair