Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.3 BDBM94921Purchase

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))	BDBM94921 (3-fluorobenzoic acid [4-[(Z)-[(6-methylnicotinoyl)...) Show SMILES Cc1ccc(cn1)C(=O)N\N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16FN3O3/c1-14-5-8-17(13-23-14)20(26)25-24-12-15-6-9-19(10-7-15)28-21(27)16-3-2-4-18(22)11-16/h2-13H,1H3,(H,25,26)/b24-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM94921 (3-fluorobenzoic acid [4-[(Z)-[(6-methylnicotinoyl)...) Show SMILES Cc1ccc(cn1)C(=O)N\N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16FN3O3/c1-14-5-8-17(13-23-14)20(26)25-24-12-15-6-9-19(10-7-15)28-21(27)16-3-2-4-18(22)11-16/h2-13H,1H3,(H,25,26)/b24-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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 (2012) BindingDB Entry DOI: 10.7270/Q2GM85XC
					More data for this Ligand-Target Pair