BDBM211894 US9290459, 47.9::US9670166, 47.9

SMILES: COCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N

InChI Key: InChIKey=UKSRDEDAYKAERT-HSZRJFAPSA-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 = 211894   

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))	BDBM211894 (US9290459, 47.9 | US9670166, 47.9) Show SMILES COCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:9| Show InChI InChI=1S/C26H23F3N4O6S/c1-39-11-10-31-24(35)33-23(18-7-6-15(14-30)12-21(18)40(2,37)38)22-19(8-9-20(22)34)32(25(33)36)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23H,8-11H2,1-2H3,(H,31,35)/t23-/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))	BDBM211894 (US9290459, 47.9 | US9670166, 47.9) Show SMILES COCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:9| Show InChI InChI=1S/C26H23F3N4O6S/c1-39-11-10-31-24(35)33-23(18-7-6-15(14-30)12-21(18)40(2,37)38)22-19(8-9-20(22)34)32(25(33)36)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23H,8-11H2,1-2H3,(H,31,35)/t23-/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