BDBM185168 [2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbonyl]piperazin-1-yl]-2-oxo-ethyl]-amino]-2-oxo-ethyl]-dimethyl-sulfonium bromide (1b)

SMILES: COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1

InChI Key: InChIKey=VWYYZXQOZOYNRA-UHFFFAOYSA-O

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 = 185168   

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))	BDBM185168 ([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...) Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1 Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aston University					Assay Description For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...				Chem Biol 22: 1347-61 (2015) Article DOI: 10.1016/j.chembiol.2015.08.013 BindingDB Entry DOI: 10.7270/Q2222SJC
					More data for this Ligand-Target Pair
Coagulation factor XIII A (FXIIIa) (Homo sapiens (Human))	BDBM185168 ([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...) Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1 Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aston University					Assay Description For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...				Chem Biol 22: 1347-61 (2015) Article DOI: 10.1016/j.chembiol.2015.08.013 BindingDB Entry DOI: 10.7270/Q2222SJC
					More data for this Ligand-Target Pair
Transglutaminase-3 (TG3) (Homo sapiens (Human))	BDBM185168 ([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...) Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1 Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aston University					Assay Description For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...				Chem Biol 22: 1347-61 (2015) Article DOI: 10.1016/j.chembiol.2015.08.013 BindingDB Entry DOI: 10.7270/Q2222SJC
					More data for this Ligand-Target Pair
Transglutaminase-1 (TG1) (Homo sapiens (Human))	BDBM185168 ([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...) Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1 Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aston University					Assay Description For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...				Chem Biol 22: 1347-61 (2015) Article DOI: 10.1016/j.chembiol.2015.08.013 BindingDB Entry DOI: 10.7270/Q2222SJC
					More data for this Ligand-Target Pair