BDBM50420502 CHEMBL2086504

SMILES: Cc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C

InChI Key: InChIKey=YPMNAVIECMCAFC-UHFFFAOYSA-N

Data: 4 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 = 50420502   

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))	BDBM50420502 (CHEMBL2086504) Show SMILES Cc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H27N3O5S/c1-6-17(23)20-15-7-8-16(14(2)13-15)28(25,26)22-11-9-21(10-12-22)18(24)27-19(3,4)5/h6-8,13H,1,9-12H2,2-5H3,(H,20,23)	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	910	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
Coagulation factor XIII (Homo sapiens (Human))	BDBM50420502 (CHEMBL2086504) Show SMILES Cc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H27N3O5S/c1-6-17(23)20-15-7-8-16(14(2)13-15)28(25,26)22-11-9-21(10-12-22)18(24)27-19(3,4)5/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 Similars	Article PubMed	n/a	n/a	210	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
Transglutaminase-3 (TG3) (Homo sapiens (Human))	BDBM50420502 (CHEMBL2086504) Show SMILES Cc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H27N3O5S/c1-6-17(23)20-15-7-8-16(14(2)13-15)28(25,26)22-11-9-21(10-12-22)18(24)27-19(3,4)5/h6-8,13H,1,9-12H2,2-5H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
Transglutaminase-1 (TG1) (Homo sapiens (Human))	BDBM50420502 (CHEMBL2086504) Show SMILES Cc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H27N3O5S/c1-6-17(23)20-15-7-8-16(14(2)13-15)28(25,26)22-11-9-21(10-12-22)18(24)27-19(3,4)5/h6-8,13H,1,9-12H2,2-5H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+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 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