BDBM232333 US9346794, 37

SMILES: CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(-c3ccnn3C)c(C)c(-c3cccc(c3)C(F)F)c2=O)cc1

InChI Key: InChIKey=DRAPTYRXJHYRNW-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 = 232333   

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))	BDBM232333 (US9346794, 37) Show SMILES CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(-c3ccnn3C)c(C)c(-c3cccc(c3)C(F)F)c2=O)cc1 Show InChI InChI=1S/C29H28F2N6O3S/c1-18(2)41(40,35-17-32)23-10-8-20(9-11-23)15-33-29(39)24-16-37(25-12-13-34-36(25)4)19(3)26(27(24)38)21-6-5-7-22(14-21)28(30)31/h5-14,16,18,28H,15H2,1-4H3,(H,33,39)	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	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...				US Patent US9346794 (2016) BindingDB Entry DOI: 10.7270/Q2X63KSJ
					More data for this Ligand-Target Pair