BDBM232319 US9346794, 23

SMILES: Cc1noc(C)c1-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=QPAFJKANEICUNO-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 = 232319   

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))	BDBM232319 (US9346794, 23) Show SMILES Cc1noc(C)c1-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F |(1.91,-5.11,;.58,-5.88,;.1,-7.34,;-1.44,-7.34,;-1.91,-5.88,;-3.25,-5.11,;-.67,-4.98,;-.67,-3.44,;.67,-2.67,;.67,-1.13,;2,-.36,;2,1.18,;3.33,-1.13,;4.67,-.36,;4.67,1.18,;6,1.95,;6,3.49,;4.67,4.26,;3.33,3.49,;3.33,1.95,;4.67,5.8,;6,6.57,;4.67,7.34,;3.13,5.8,;1.59,5.8,;.05,5.8,;-.67,-.36,;-.67,1.18,;-2,-1.13,;-2,-2.67,;-3.33,-3.44,;-3.33,-.36,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-4.67,1.95,;-3.33,1.18,;-4.67,3.49,;-3.33,4.26,;-6,4.26,;-4.67,5.03,)| Show InChI InChI=1S/C28H24F3N5O4S/c1-16-25(18(3)40-35-16)36-14-23(26(37)24(17(36)2)20-6-5-7-21(12-20)28(29,30)31)27(38)33-13-19-8-10-22(11-9-19)41(4,39)34-15-32/h5-12,14H,13H2,1-4H3,(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	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