BDBM50035532 Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carbonyl)-amino]-1-pentafluoroethyl-but-1-enyl ester::CHEMBL73830

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=AXFWXPZNJYBYIS-FREDPBAWSA-N

Data: 2 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 2 hits for monomerid = 50035532   

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))	BDBM50035532 (Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C31H39F5N4O7/c1-17(2)23(25(47-19(5)41)30(32,33)31(34,35)36)37-27(43)22-7-6-12-40(22)29(45)24(18(3)4)38-26(42)20-8-10-21(11-9-20)28(44)39-13-15-46-16-14-39/h8-11,17-18,22,24H,6-7,12-16H2,1-5H3,(H,37,43)(H,38,42)/b25-23+/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50035532 (Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C31H39F5N4O7/c1-17(2)23(25(47-19(5)41)30(32,33)31(34,35)36)37-27(43)22-7-6-12-40(22)29(45)24(18(3)4)38-26(42)20-8-10-21(11-9-20)28(44)39-13-15-46-16-14-39/h8-11,17-18,22,24H,6-7,12-16H2,1-5H3,(H,37,43)(H,38,42)/b25-23+/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair