BDBM50005160 CHEMBL348882::Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamic acid benzyl ester

SMILES: CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)OCc1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=XNBGWKNOJAKBBG-UHFFFAOYSA-N

Data: 1 IC50

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 = 50005160   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50005160 (CHEMBL348882 | Indan-2-yl-[(3,3,3-trifluoro-1-isop...) Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)OCc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H27F3N2O4/c1-16(2)22(23(32)25(26,27)28)29-21(31)14-30(20-12-18-10-6-7-11-19(18)13-20)24(33)34-15-17-8-4-3-5-9-17/h3-11,16,20,22H,12-15H2,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair