BDBM232323 US9346794, 27

SMILES: Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccncc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N

InChI Key: InChIKey=QWKQEYMDMZZLKG-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 = 232323   

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))	BDBM232323 (US9346794, 27) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccncc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C28H22F3N5O3S/c1-18-25(20-4-3-5-21(14-20)28(29,30)31)26(37)24(16-36(18)22-10-12-33-13-11-22)27(38)34-15-19-6-8-23(9-7-19)40(2,39)35-17-32/h3-14,16H,15H2,1-2H3,(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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