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SMILES: Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccnn1C)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N

InChI Key: InChIKey=OYAZXWLAZWTIBD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 232304   

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))	BDBM232304 (US9346794, 47 | US9346794, 8) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccnn1C)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C27H23F3N6O3S/c1-17-24(19-5-4-6-20(13-19)27(28,29)30)25(37)22(15-36(17)23-11-12-33-35(23)2)26(38)32-14-18-7-9-21(10-8-18)40(3,39)34-16-31/h4-13,15H,14H2,1-3H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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
Neutrophil elastase (Homo sapiens (Human))	BDBM232304 (US9346794, 47 | US9346794, 8) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccnn1C)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C27H23F3N6O3S/c1-17-24(19-5-4-6-20(13-19)27(28,29)30)25(37)22(15-36(17)23-11-12-33-35(23)2)26(38)32-14-18-7-9-21(10-8-18)40(3,39)34-16-31/h4-13,15H,14H2,1-3H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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