BDBM232298 US9346794, 2::US9346794, 2A::US9346794, 2B

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

InChI Key: InChIKey=STVDCPQWTZATOS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 232298   

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))	BDBM232298 (US9346794, 2 | US9346794, 2A | US9346794, 2B) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O3S/c1-16(2)33-14-22(24(34)23(17(33)3)19-6-5-7-20(12-19)26(27,28)29)25(35)31-13-18-8-10-21(11-9-18)37(4,36)32-15-30/h5-12,14,16H,13H2,1-4H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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))	BDBM232298 (US9346794, 2 | US9346794, 2A | US9346794, 2B) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O3S/c1-16(2)33-14-22(24(34)23(17(33)3)19-6-5-7-20(12-19)26(27,28)29)25(35)31-13-18-8-10-21(11-9-18)37(4,36)32-15-30/h5-12,14,16H,13H2,1-4H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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))	BDBM232298 (US9346794, 2 | US9346794, 2A | US9346794, 2B) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O3S/c1-16(2)33-14-22(24(34)23(17(33)3)19-6-5-7-20(12-19)26(27,28)29)25(35)31-13-18-8-10-21(11-9-18)37(4,36)32-15-30/h5-12,14,16H,13H2,1-4H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	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