BDBM23726 1,1-dimethylprop-2-yn-1-yl 4-methoxybenzoate, 10::2-methylbut-3-yn-2-yl 4-methoxybenzoate

SMILES: COc1ccc(cc1)C(=O)OC(C)(C)C#C

InChI Key: InChIKey=WRGOVRZCLGHFFF-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 = 23726   

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))	BDBM23726 (1,1-dimethylprop-2-yn-1-yl 4-methoxybenzoate, 10 |...) Show SMILES COc1ccc(cc1)C(=O)OC(C)(C)C#C Show InChI InChI=1S/C13H14O3/c1-5-13(2,3)16-12(14)10-6-8-11(15-4)9-7-10/h1,6-9H,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	110	-9.49	n/a	n/a	n/a	n/a	n/a	7.5	25
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