BDBM230300 US9340507, 3.4

SMILES: CC(C)n1cc(C(=O)NCc2cnn(C)c2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=QPXXGPCFIDTPJO-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 = 230300   

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))	BDBM230300 (US9340507, 3.4) Show SMILES CC(C)n1cc(C(=O)NCc2cnn(C)c2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O2/c1-13(2)29-12-18(21(31)26-9-15-10-27-28(4)11-15)20(30)19(14(29)3)16-6-5-7-17(8-16)22(23,24)25/h5-8,10-13H,9H2,1-4H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair