BDBM50004185 4-[2-({2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-benzoylamino]-3-methyl-butyryl}-indan-2-yl-amino)-acetylamino]-2,2-difluoro-5-methyl-3-oxo-hexanoic acid ethyl ester::CHEMBL263927

SMILES: CCOC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C

InChI Key: InChIKey=RBVHNXWKPIRSTF-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 = 50004185   

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))	BDBM50004185 (4-[2-({2-[4-(4-Chloro-benzenesulfonylaminocarbonyl...) Show SMILES CCOC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C Show InChI InChI=1S/C39H43ClF2N4O9S/c1-6-55-38(52)39(41,42)34(48)32(22(2)3)43-31(47)21-46(29-19-26-9-7-8-10-27(26)20-29)37(51)33(23(4)5)44-35(49)24-11-13-25(14-12-24)36(50)45-56(53,54)30-17-15-28(40)16-18-30/h7-18,22-23,29,32-33H,6,19-21H2,1-5H3,(H,43,47)(H,44,49)(H,45,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	404	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair