BDBM50005174 CHEMBL435649::N-(1-{Bicyclo[2.2.1]hept-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-4-(4-chloro-benzenesulfonylaminocarbonyl)-benzamide

SMILES: CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CC2CCC1C2

InChI Key: InChIKey=VOZIXRPVZNFJIB-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 = 50005174   

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))	BDBM50005174 (CHEMBL435649 | N-(1-{Bicyclo[2.2.1]hept-2-yl-[(3,3...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CC2CCC1C2 |THB:28:43:49:47.46| Show InChI InChI=1S/C34H40ClF3N4O7S/c1-18(2)28(30(44)34(36,37)38)39-27(43)17-42(26-16-20-5-6-23(26)15-20)33(47)29(19(3)4)40-31(45)21-7-9-22(10-8-21)32(46)41-50(48,49)25-13-11-24(35)12-14-25/h7-14,18-20,23,26,28-29H,5-6,15-17H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	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
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