BDBM211888 US9290459, 47.3::US9670166, 47.3

SMILES: CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N

InChI Key: InChIKey=NUEAURWBFVZUTC-JOCHJYFZSA-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 = 211888   

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))	BDBM211888 (US9290459, 47.3 | US9670166, 47.3) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:22| Show InChI InChI=1S/C25H18F3N5O5S/c1-39(37,38)20-11-14(13-30)5-6-17(20)22-21-18(7-8-19(21)34)32(24(36)33(22)23(35)31-10-9-29)16-4-2-3-15(12-16)25(26,27)28/h2-6,11-12,22H,7-8,10H2,1H3,(H,31,35)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM211888 (US9290459, 47.3 | US9670166, 47.3) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:22| Show InChI InChI=1S/C25H18F3N5O5S/c1-39(37,38)20-11-14(13-30)5-6-17(20)22-21-18(7-8-19(21)34)32(24(36)33(22)23(35)31-10-9-29)16-4-2-3-15(12-16)25(26,27)28/h2-6,11-12,22H,7-8,10H2,1H3,(H,31,35)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair