BDBM59188 Dihydroisoxazole, 3e

SMILES: BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccc3ccccc3c2)C1

InChI Key: InChIKey=JASUKZSSOSFSRD-LBAQZLPGSA-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 = 59188   

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))	BDBM59188 (Dihydroisoxazole, 3e) Show SMILES BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccc3ccccc3c2)C1 |r,t:1| Show InChI InChI=1S/C24H22BrN3O4/c25-22-14-20(32-28-22)15-26-23(29)21(12-16-6-2-1-3-7-16)27-24(30)31-19-11-10-17-8-4-5-9-18(17)13-19/h1-11,13,20-21H,12,14-15H2,(H,26,29)(H,27,30)/t20?,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.30E+4	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