BDBM50061042 (S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid ((S)-4-benzoylamino-3,3-difluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL109949

SMILES: COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)c1ccccc1

InChI Key: InChIKey=IDTAEQZNAKXNBR-GSDHBNRESA-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 = 50061042   

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))	BDBM50061042 ((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)c1ccccc1 Show InChI InChI=1S/C32H40F2N4O6/c1-19(2)25(27(39)32(33,34)18-35-28(40)21-10-7-6-8-11-21)36-30(42)24-12-9-17-38(24)31(43)26(20(3)4)37-29(41)22-13-15-23(44-5)16-14-22/h6-8,10-11,13-16,19-20,24-26H,9,12,17-18H2,1-5H3,(H,35,40)(H,36,42)(H,37,41)/t24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for human leukocyte elastase				J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85
					More data for this Ligand-Target Pair