Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.4 BDBM95050

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM95050 (MLS003675272 | N-butyl-2-(4-piperidinyl)-5-[3-(tri...) Show SMILES CCCCNC(=O)c1nc(oc1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H24F3N3O2/c1-2-3-9-25-18(27)16-17(14-5-4-6-15(12-14)20(21,22)23)28-19(26-16)13-7-10-24-11-8-13/h4-6,12-13,24H,2-3,7-11H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GM85XC
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM95050 (MLS003675272 | N-butyl-2-(4-piperidinyl)-5-[3-(tri...) Show SMILES CCCCNC(=O)c1nc(oc1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H24F3N3O2/c1-2-3-9-25-18(27)16-17(14-5-4-6-15(12-14)20(21,22)23)28-19(26-16)13-7-10-24-11-8-13/h4-6,12-13,24H,2-3,7-11H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2JD4VDZ
					More data for this Ligand-Target Pair