BDBM185176 [2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-yl]-2-oxo-ethyl]amino]-2-oxoethyl]-dimethyl-sulfonium bromide (1f)

SMILES: C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=JMHWSFNBKIFUOH-UHFFFAOYSA-O

Data: 5 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 5 hits for monomerid = 185176   

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))	BDBM185176 ([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...) Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25| Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/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	775	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))	BDBM185176 ([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...) Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25| Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/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
Coagulation factor XIII A (FXIIIa) (Homo sapiens (Human))	BDBM185176 ([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...) Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25| Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/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-6 (TG6) (Homo sapiens (Human))	BDBM185176 ([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...) Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25| Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM185176 ([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...) Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25| Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/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