BDBM232318 US9346794, 22A::US9346794, 22B

SMILES: CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1

InChI Key: InChIKey=LNBJRTJBKWJDEJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 232318   

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))	BDBM232318 (US9346794, 22A | US9346794, 22B) Show SMILES CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1 Show InChI InChI=1S/C28H27F3N4O3S/c1-17(2)39(38,34-16-32)23-11-7-19(8-12-23)14-33-27(37)24-15-35(22-9-10-22)18(3)25(26(24)36)20-5-4-6-21(13-20)28(29,30)31/h4-8,11-13,15,17,22H,9-10,14H2,1-3H3,(H,33,37)	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
Leukocyte elastase (Homo sapiens (Human))	BDBM232318 (US9346794, 22A | US9346794, 22B) Show SMILES CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1 Show InChI InChI=1S/C28H27F3N4O3S/c1-17(2)39(38,34-16-32)23-11-7-19(8-12-23)14-33-27(37)24-15-35(22-9-10-22)18(3)25(26(24)36)20-5-4-6-21(13-20)28(29,30)31/h4-8,11-13,15,17,22H,9-10,14H2,1-3H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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