BDBM59183 Dihydroisoxazole, 2b

SMILES: CN(CC1CC(Br)=NO1)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=FRFFWAWJBBXDFY-GGYWPGCISA-N

Data: 1 KI

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 1 hit for monomerid = 59183   

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))	BDBM59183 (Dihydroisoxazole, 2b) Show SMILES CN(CC1CC(Br)=NO1)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,c:6| Show InChI InChI=1S/C22H24BrN3O4/c1-26(14-18-13-20(23)25-30-18)21(27)19(12-16-8-4-2-5-9-16)24-22(28)29-15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,24,28)/t18?,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Stanford University					Assay Description Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.				Chem Biol 12: 469-75 (2005) Article DOI: 10.1016/j.chembiol.2005.02.007 BindingDB Entry DOI: 10.7270/Q2XK8D0V
					More data for this Ligand-Target Pair