null

SMILES: COc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C

InChI Key: InChIKey=LVSBTXSROYNVFU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50420501   

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 (Homo sapiens (Human))	BDBM50420501 (CHEMBL2086503) Show SMILES COc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H27N3O6S/c1-6-17(23)20-14-7-8-16(15(13-14)27-5)29(25,26)22-11-9-21(10-12-22)18(24)28-19(2,3)4/h6-8,13H,1,9-12H2,2-5H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant TG2 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase E (Homo sapiens (Human))	BDBM50420501 (CHEMBL2086503) Show SMILES COc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H27N3O6S/c1-6-17(23)20-14-7-8-16(15(13-14)27-5)29(25,26)22-11-9-21(10-12-22)18(24)28-19(2,3)4/h6-8,13H,1,9-12H2,2-5H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of thrombin activated human TG3 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Coagulation factor XIII A chain (Homo sapiens (Human))	BDBM50420501 (CHEMBL2086503) Show SMILES COc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H27N3O6S/c1-6-17(23)20-14-7-8-16(15(13-14)27-5)29(25,26)22-11-9-21(10-12-22)18(24)28-19(2,3)4/h6-8,13H,1,9-12H2,2-5H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of thrombin activated human F13a by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K (Homo sapiens (Human))	BDBM50420501 (CHEMBL2086503) Show SMILES COc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H27N3O6S/c1-6-17(23)20-14-7-8-16(15(13-14)27-5)29(25,26)22-11-9-21(10-12-22)18(24)28-19(2,3)4/h6-8,13H,1,9-12H2,2-5H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant TG1 by fluorescent transamidation assay				J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560
					More data for this Ligand-Target Pair