BDBM185171 N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-2-chloro-acetamide (6o)

SMILES: ClCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=NFZFJZVLPZWBQH-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 185171   

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))	BDBM185171 (N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...) Show SMILES ClCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21| Show InChI InChI=1S/C19H28ClN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.75	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
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