BDBM50342571 (E)-5-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one::CHEMBL1770541

SMILES: Brc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1

InChI Key: InChIKey=SMTHKUIIZITEFW-KPKJPENVSA-N

Data: 2 KI  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 4 hits for monomerid = 50342571   

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))	BDBM50342571 ((E)-5-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...) Show SMILES Brc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1 Show InChI InChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	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))	BDBM50342571 ((E)-5-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...) Show SMILES Brc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1 Show InChI InChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	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 (TG2) (Homo sapiens (Human))	BDBM50342571 ((E)-5-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...) Show SMILES Brc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1 Show InChI InChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)/b12-7+	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	560	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))	BDBM50342571 ((E)-5-bromo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)in...) Show SMILES Brc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1 Show InChI InChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)/b12-7+	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	4.80E+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