BDBM50058372 CHEMBL292141::N-(2-Dimethylamino-ethyl)-N'-{(S)-2-methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-terephthalamide

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NCCN(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=FLXYSONLKOMQTB-HRTMPFAESA-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 = 50058372   

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))	BDBM50058372 (CHEMBL292141 | N-(2-Dimethylamino-ethyl)-N'-{(S)-2...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NCCN(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C28H40F3N5O5/c1-16(2)21(23(37)28(29,30)31)33-26(40)20-8-7-14-36(20)27(41)22(17(3)4)34-25(39)19-11-9-18(10-12-19)24(38)32-13-15-35(5)6/h9-12,16-17,20-22H,7-8,13-15H2,1-6H3,(H,32,38)(H,33,40)(H,34,39)/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 PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay				J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ
					More data for this Ligand-Target Pair