BDBM50283099 ((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl-2-phenoxycarbonylamino-butyryl)-pyrrolidine-2-carbonyl]-amino}-3-oxo-hexyl)-carbamic acid tert-butyl ester::CHEMBL306202

SMILES: CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)OC(C)(C)C

InChI Key: InChIKey=UMGDIHRNJBHDIA-FKBYEOEOSA-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 = 50283099   

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))	BDBM50283099 (((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl...) Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)OC(C)(C)C Show InChI InChI=1S/C29H42F2N4O7/c1-17(2)21(23(36)29(30,31)16-32-26(39)42-28(5,6)7)33-24(37)20-14-11-15-35(20)25(38)22(18(3)4)34-27(40)41-19-12-9-8-10-13-19/h8-10,12-13,17-18,20-22H,11,14-16H2,1-7H3,(H,32,39)(H,33,37)(H,34,40)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair