BDBM50342596 (E)-methyl 3-((4-chloro-2-oxo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-1-yl)methyl)benzoate::CHEMBL1770536

SMILES: COC(=O)c1cccc(CN2C(=O)\C(=C\C(=O)c3cccnc3)c3c2cccc3Cl)c1

InChI Key: InChIKey=XXYMMURTNXWEKQ-LDADJPATSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50342596   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50342596 ((E)-methyl 3-((4-chloro-2-oxo-3-(2-oxo-2-(pyridin-...) Show SMILES COC(=O)c1cccc(CN2C(=O)\C(=C\C(=O)c3cccnc3)c3c2cccc3Cl)c1 Show InChI InChI=1S/C24H17ClN2O4/c1-31-24(30)16-6-2-5-15(11-16)14-27-20-9-3-8-19(25)22(20)18(23(27)29)12-21(28)17-7-4-10-26-13-17/h2-13H,14H2,1H3/b18-12+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+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
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50342596 ((E)-methyl 3-((4-chloro-2-oxo-3-(2-oxo-2-(pyridin-...) Show SMILES COC(=O)c1cccc(CN2C(=O)\C(=C\C(=O)c3cccnc3)c3c2cccc3Cl)c1 Show InChI InChI=1S/C24H17ClN2O4/c1-31-24(30)16-6-2-5-15(11-16)14-27-20-9-3-8-19(25)22(20)18(23(27)29)12-21(28)17-7-4-10-26-13-17/h2-13H,14H2,1H3/b18-12+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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 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