BDBM120371 US8703807, 7

SMILES: CC(C)Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(COCC(F)(F)F)CC2)C1=O

InChI Key: InChIKey=RRDLYIRHUKUQGX-KDURUIRLSA-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 = 120371   

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
Hormone-sensitive lipase (HSL) (Homo sapiens (Human))	BDBM120371 (US8703807, 7) Show SMILES CC(C)Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(COCC(F)(F)F)CC2)C1=O |r,wU:13.28,16.17,wD:16.18,(9.92,.7,;8.44,.3,;8.04,-1.19,;7.35,1.39,;5.86,.99,;5.46,-.5,;3.97,-.9,;2.88,.19,;3.28,1.68,;4.77,2.08,;1.4,-.21,;.92,-1.67,;-.62,-1.67,;-1.1,-.21,;-1.1,1.33,;-2.43,2.1,;-3.76,1.33,;-4.53,2.67,;-5.3,1.33,;-6.07,,;-7.61,,;-8.38,-1.33,;-9.92,-1.33,;-7.61,-2.67,;-9.15,-2.67,;-3.76,-.21,;-2.43,-.98,;.15,.7,;.15,2.24,)| Show InChI InChI=1S/C20H27F3N2O4/c1-14(2)29-16-4-3-15(11-24-16)25-10-9-18(17(25)26)5-7-19(27,8-6-18)12-28-13-20(21,22)23/h3-4,11,14,27H,5-10,12-13H2,1-2H3/t18-,19+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.7	n/a	n/a	n/a	n/a	7.2	4
Hoffmann-La Roche Inc. US Patent					Assay Description HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...				US Patent US8703807 (2014) BindingDB Entry DOI: 10.7270/Q2RN36HB
					More data for this Ligand-Target Pair