Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 314.7 BDBM50342580

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
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50342580 ((E)-4-chloro-3-(2-(6-methoxypyridin-3-yl)-2-oxoeth...) Show SMILES COc1ccncc1C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12 Show InChI InChI=1S/C16H11ClN2O3/c1-22-14-5-6-18-8-10(14)13(20)7-9-15-11(17)3-2-4-12(15)19-16(9)21/h2-8H,1H3,(H,19,21)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 mins by fluorometric assay				Bioorg Med Chem Lett 21: 2692-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.037 BindingDB Entry DOI: 10.7270/Q2CN7471
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50342580 ((E)-4-chloro-3-(2-(6-methoxypyridin-3-yl)-2-oxoeth...) Show SMILES COc1ccncc1C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12 Show InChI InChI=1S/C16H11ClN2O3/c1-22-14-5-6-18-8-10(14)13(20)7-9-15-11(17)3-2-4-12(15)19-16(9)21/h2-8H,1H3,(H,19,21)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay				Bioorg Med Chem Lett 21: 2692-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.037 BindingDB Entry DOI: 10.7270/Q2CN7471
					More data for this Ligand-Target Pair