BDBM23730 1,2,4-triazole-5-carboxylate, 14::methyl 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-1H-1,2,4-triazole-5-carboxylate::methyl 3-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-1H-1,2,4-triazole-5-carboxylate

SMILES: COC(=O)c1nnc(NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)[nH]1

InChI Key: InChIKey=UMZFIPHAVPTXOY-UHFFFAOYSA-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 = 23730   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM23730 (1,2,4-triazole-5-carboxylate, 14 | methyl 3-[2-(1,...) Show SMILES COC(=O)c1nnc(NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)[nH]1 Show InChI InChI=1S/C17H17N5O5/c1-8(2)11(13(23)19-17-18-12(20-21-17)16(26)27-3)22-14(24)9-6-4-5-7-10(9)15(22)25/h4-8,11H,1-3H3,(H2,18,19,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
					More data for this Ligand-Target Pair