BDBM50005165 CHEMBL345792::[1-(Indan-2-yl-{[2-methyl-1-(4-trifluoromethyl-benzoyl)-propylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester

SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)N[C@@H](C(C)C)C(=O)c1ccc(cc1)C(F)(F)F)C1Cc2ccccc2C1

InChI Key: InChIKey=GVVMUWSONPWKSC-CYZZXXEPSA-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 = 50005165   

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))	BDBM50005165 (CHEMBL345792 | [1-(Indan-2-yl-{[2-methyl-1-(4-trif...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)N[C@@H](C(C)C)C(=O)c1ccc(cc1)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C36H40F3N3O5/c1-22(2)31(33(44)25-14-16-28(17-15-25)36(37,38)39)40-30(43)20-42(29-18-26-12-8-9-13-27(26)19-29)34(45)32(23(3)4)41-35(46)47-21-24-10-6-5-7-11-24/h5-17,22-23,29,31-32H,18-21H2,1-4H3,(H,40,43)(H,41,46)/t31-,32?/m0/s1	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