BDBM120375 US8703807, 11

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

InChI Key: InChIKey=KJGFPRVHPPISPG-ZOCIIQOWSA-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 = 120375   

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))	BDBM120375 (US8703807, 11) Show SMILES C[C@H](Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(COCCF)CC2)C1=O)C(F)(F)F |r,wU:15.16,wD:12.12,1.0,15.17,(7.55,-1.47,;7.95,.02,;6.86,1.1,;5.38,.71,;4.98,-.78,;3.49,-1.18,;2.4,-.09,;2.8,1.4,;4.29,1.79,;.91,-.49,;.44,-1.95,;-1.1,-1.95,;-1.58,-.49,;-1.98,1,;-3.46,1.4,;-4.55,.31,;-5.32,1.64,;-6.09,.31,;-6.86,-1.03,;-8.35,-.63,;-9.44,-1.72,;-10.93,-1.32,;-4.15,-1.18,;-2.67,-1.58,;-.33,.41,;-.33,1.95,;9.44,.41,;9.84,1.9,;10.53,-.68,;10.93,.81,)| Show InChI InChI=1S/C20H26F4N2O4/c1-14(20(22,23)24)30-16-3-2-15(12-25-16)26-10-8-18(17(26)27)4-6-19(28,7-5-18)13-29-11-9-21/h2-3,12,14,28H,4-11,13H2,1H3/t14-,18-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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