BDBM303498 US10138228, Example 3

SMILES: CN(C)S(=O)(=O)NC(=O)c1ccc(CN(C)c2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc2C(F)(F)F)cc1

InChI Key: InChIKey=DSXHZFHBVQDDAE-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 = 303498   

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))	BDBM303498 (US10138228, Example 3) Show SMILES CN(C)S(=O)(=O)NC(=O)c1ccc(CN(C)c2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc2C(F)(F)F)cc1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(9.4,14.4,;9.4,12.86,;10.73,12.09,;8.07,12.09,;7.3,10.75,;8.84,10.75,;6.73,12.86,;5.4,12.09,;5.4,10.55,;4.07,12.86,;4.07,14.4,;2.73,15.17,;1.4,14.4,;.06,15.17,;-1.27,14.4,;-1.27,12.86,;-2.6,15.17,;-2.6,16.71,;-3.94,17.48,;-5.27,16.71,;-6.6,17.48,;-7.94,16.71,;-9.27,17.48,;-9.27,19.02,;-10.74,19.49,;-11.64,18.25,;-10.74,17,;-11.51,15.67,;-12.99,15.27,;-14.08,16.36,;-13.39,13.78,;-12.3,12.69,;-10.82,13.09,;-10.42,14.58,;-8.93,14.98,;-7.94,19.79,;-6.4,19.79,;-7.17,21.12,;-5.27,15.17,;-3.94,14.34,;-3.94,12.8,;-3.94,11.26,;-2.4,12.8,;-5.48,12.8,;1.4,12.86,;2.73,12.09,)| Show InChI InChI=1S/C30H28Cl2F3N5O5S/c1-39(2)46(42,43)38-29(41)19-9-7-17(8-10-19)15-40(3)23-13-14-24(36-28(23)30(33,34)35)44-16-20-26(37-45-27(20)18-11-12-18)25-21(31)5-4-6-22(25)32/h4-10,13-14,18H,11-12,15-16H2,1-3H3,(H,38,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
ENANTA PHARMACEUTICALS, INC. US Patent					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...				US Patent US10138228 (2018) BindingDB Entry DOI: 10.7270/Q2H99788
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