BDBM50084620 1-{3-Methyl-2-[4-(tetrahydro-pyran-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide(MDL101,146)::CHEMBL115817

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)C1CCOCC1)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=RIEJMCBTHBOYBR-VNXZQDSDSA-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 = 50084620   

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))	BDBM50084620 (1-{3-Methyl-2-[4-(tetrahydro-pyran-4-carbonyl)-ben...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)C1CCOCC1)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C30H38F5N3O6/c1-16(2)22(25(40)29(31,32)30(33,34)35)36-27(42)21-6-5-13-38(21)28(43)23(17(3)4)37-26(41)20-9-7-18(8-10-20)24(39)19-11-14-44-15-12-19/h7-10,16-17,19,21-23H,5-6,11-15H2,1-4H3,(H,36,42)(H,37,41)/t21?,22?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Binding affinity against Elastase				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair