BDBM50032888 CHEMBL3342778::US9290459, 6.3::US9670166, 6.3

SMILES: FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2

InChI Key: InChIKey=MAAIYZJSIBUOTJ-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 50032888   

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))	BDBM50032888 (CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12| Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50032888 (CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12| Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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
Leukocyte elastase (Homo sapiens (Human))	BDBM50032888 (CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12| Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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))	BDBM50032888 (CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12| Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1182-3 (2014) Article DOI: 10.1021/ml500346u BindingDB Entry DOI: 10.7270/Q2N29ZJC
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50032888 (CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12| Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate after 15 mins by fluorescence assay				ACS Med Chem Lett 5: 1182-3 (2014) Article DOI: 10.1021/ml500346u BindingDB Entry DOI: 10.7270/Q2N29ZJC
					More data for this Ligand-Target Pair