Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoacylglycerol lipase ABHD6' and Ligand = 'BDBM444468'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM444468 (US10662159, Example 58) Show SMILES Fc1cccc(OC2C[C@@]3(C2)CCN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1 |r,wD:9.8,(-17.05,-2.89,;-15.52,-3.05,;-14.89,-4.46,;-13.36,-4.62,;-12.46,-3.38,;-13.08,-1.97,;-12.18,-.72,;-10.65,-.88,;-9.45,.08,;-8.48,-1.11,;-9.68,-2.08,;-7.71,-2.45,;-6.2,-2.13,;-6.04,-.59,;-7.45,.03,;-4.71,.18,;-3.38,-.59,;-4.71,1.72,;-3.38,2.49,;-3.38,4.03,;-3.38,5.57,;-1.84,4.03,;-4.92,4.03,;-2.04,1.72,;-2.81,.38,;-1.27,3.05,;-.71,.95,;-14.62,-1.81,)| Show InChI InChI=1S/C17H16F7NO3/c18-10-2-1-3-11(6-10)27-12-7-15(8-12)4-5-25(9-15)14(26)28-13(16(19,20)21)17(22,23)24/h1-3,6,12-13H,4-5,7-9H2/t12?,15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
MAKSCIENTIFIC, LLC US Patent					Assay Description ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...				US Patent US10662159 (2020) BindingDB Entry DOI: 10.7270/Q2RB77NZ
					More data for this Ligand-Target Pair