BDBM120366 US8703807, 2

SMILES: O[C@@]1(CN2CCCCC2=O)CC[C@]2(CCN(C2=O)c2ccc(cc2)C(F)(F)F)CC1

InChI Key: InChIKey=REOQTRMOISIUKA-OYRHEFFESA-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 = 120366   

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))	BDBM120366 (US8703807, 2) Show SMILES O[C@@]1(CN2CCCCC2=O)CC[C@]2(CCN(C2=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:12.17,1.0,wD:1.1,(-4.96,.59,;-3.88,-.5,;-5.36,-.9,;-6.45,.19,;-6.05,1.68,;-7.14,2.76,;-8.63,2.37,;-9.03,.88,;-7.94,-.21,;-8.34,-1.7,;-2.79,.59,;-1.3,.19,;-.9,-1.3,;-.42,-2.76,;1.12,-2.76,;1.59,-1.3,;.35,-.39,;.35,1.15,;3.08,-.9,;4.17,-1.99,;5.66,-1.59,;6.05,-.1,;4.96,.99,;3.48,.59,;7.54,.29,;8.63,-.79,;7.94,1.78,;9.03,.69,;-1.99,-2.39,;-3.48,-1.99,)| Show InChI InChI=1S/C22H27F3N2O3/c23-22(24,25)16-4-6-17(7-5-16)27-14-12-20(19(27)29)8-10-21(30,11-9-20)15-26-13-2-1-3-18(26)28/h4-7,30H,1-3,8-15H2/t20-,21+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68.1	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