Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.8 BDBM50342589

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))	BDBM50342589 ((E)-4-chloro-1-isobutyl-3-(2-oxo-2-(pyridin-3-yl)e...) Show SMILES CC(C)CN1C(=O)\C(=C\C(=O)c2cccnc2)c2c1cccc2Cl Show InChI InChI=1S/C19H17ClN2O2/c1-12(2)11-22-16-7-3-6-15(20)18(16)14(19(22)24)9-17(23)13-5-4-8-21-10-13/h3-10,12H,11H2,1-2H3/b14-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50342589 ((E)-4-chloro-1-isobutyl-3-(2-oxo-2-(pyridin-3-yl)e...) Show SMILES CC(C)CN1C(=O)\C(=C\C(=O)c2cccnc2)c2c1cccc2Cl Show InChI InChI=1S/C19H17ClN2O2/c1-12(2)11-22-16-7-3-6-15(20)18(16)14(19(22)24)9-17(23)13-5-4-8-21-10-13/h3-10,12H,11H2,1-2H3/b14-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+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 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