BDBM59177 Dihydroisoxazole, 1e::Dihydroisoxazole, 1f

SMILES: Oc1ccc2[nH]cc(C[C@H](NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1

InChI Key: InChIKey=HBODNRVFZLKEGI-OZBJMMHXSA-N

Data: 2 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 2 hits for monomerid = 59177   

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))	BDBM59177 (Dihydroisoxazole, 1e | Dihydroisoxazole, 1f) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:29| Show InChI InChI=1S/C23H23BrN4O5/c24-21-10-17(33-28-21)12-26-22(30)20(27-23(31)32-13-14-4-2-1-3-5-14)8-15-11-25-19-7-6-16(29)9-18(15)19/h1-7,9,11,17,20,25,29H,8,10,12-13H2,(H,26,30)(H,27,31)/t17?,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+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
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM59177 (Dihydroisoxazole, 1e | Dihydroisoxazole, 1f) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:29| Show InChI InChI=1S/C23H23BrN4O5/c24-21-10-17(33-28-21)12-26-22(30)20(27-23(31)32-13-14-4-2-1-3-5-14)8-15-11-25-19-7-6-16(29)9-18(15)19/h1-7,9,11,17,20,25,29H,8,10,12-13H2,(H,26,30)(H,27,31)/t17?,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10E+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