BDBM310086 US9657015, Example 41

SMILES: CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2ccc(=O)n(C)n2)C#N)C1=O

InChI Key: InChIKey=MORKPZOTZCSOCR-UHFFFAOYSA-N

Data: 1 IC50

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 = 310086   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM310086 (US9657015, Example 41) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2ccc(=O)n(C)n2)C#N)C1=O |t:4| Show InChI InChI=1S/C28H23F3N6O3/c1-34-12-11-22-24(26(34)39)25(35(2)27(40)37(22)18-6-4-5-17(14-18)28(29,30)31)19-8-7-16(15-32)13-20(19)21-9-10-23(38)36(3)33-21/h4-10,13-14,25H,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
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