BDBM50061034 CHEMBL2370425::{(S)-2-Methyl-1-[(S)-2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid ethyl ester

SMILES: CCOC(=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)F

InChI Key: InChIKey=QBDKRHFVKGPFQS-IHRRRGAJSA-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 = 50061034   

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))	BDBM50061034 (CHEMBL2370425 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trif...) Show SMILES CCOC(=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)F Show InChI InChI=1S/C19H30F3N3O5/c1-6-30-18(29)24-14(11(4)5)17(28)25-9-7-8-12(25)16(27)23-13(10(2)3)15(26)19(20,21)22/h10-14H,6-9H2,1-5H3,(H,23,27)(H,24,29)/t12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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
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