Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 243.2 BDBM223073Purchase

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

Found 4 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
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM223073 ((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...) Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Bos taurus (Cattle))	BDBM223073 ((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...) Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	9.8	37
Quaid-I-Azam University					Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM223073 ((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...) Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.76E+3	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM223073 ((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...) Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	9.8	37
Quaid-I-Azam University					Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair