BDBM232303 US9346794, 7

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

InChI Key: InChIKey=RJUWXTJXBNIBHT-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 = 232303   

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))	BDBM232303 (US9346794, 7) Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1-c1ccnn1C)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C27H24F2N6O3S/c1-17-24(19-5-4-6-20(13-19)26(28)29)25(36)22(15-35(17)23-11-12-32-34(23)2)27(37)31-14-18-7-9-21(10-8-18)39(3,38)33-16-30/h4-13,15,26H,14H2,1-3H3,(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	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