BDBM50037109 CHEMBL13684::{2-Oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester

SMILES: CC(C)C(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=KDWLXRNZUBXOCU-UHFFFAOYSA-N

Data: 5 KI

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 = 50037109   

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))	BDBM50037109 (CHEMBL13684 | {2-Oxo-1-[(3,3,3-trifluoro-1-isoprop...) Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O5/c1-13(2)17(18(29)21(22,23)24)26-16(28)11-27-10-6-9-15(19(27)30)25-20(31)32-12-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,25,31)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.				J Med Chem 39: 1112-24 (1996) Article DOI: 10.1021/jm950684z BindingDB Entry DOI: 10.7270/Q25Q4V6Z
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50037109 (CHEMBL13684 | {2-Oxo-1-[(3,3,3-trifluoro-1-isoprop...) Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O5/c1-13(2)17(18(29)21(22,23)24)26-16(28)11-27-10-6-9-15(19(27)30)25-20(31)32-12-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,25,31)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A Business Unit of ZENECA Inc. Curated by ChEMBL					Assay Description The compound was tested in vitro for ability to inhibit human leukocyte elastase activity				J Med Chem 37: 3090-9 (1994) BindingDB Entry DOI: 10.7270/Q2Z0375K
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50037109 (CHEMBL13684 | {2-Oxo-1-[(3,3,3-trifluoro-1-isoprop...) Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O5/c1-13(2)17(18(29)21(22,23)24)26-16(28)11-27-10-6-9-15(19(27)30)25-20(31)32-12-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,25,31)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.				J Med Chem 39: 1112-24 (1996) Article DOI: 10.1021/jm950684z BindingDB Entry DOI: 10.7270/Q25Q4V6Z
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50037109 (CHEMBL13684 | {2-Oxo-1-[(3,3,3-trifluoro-1-isoprop...) Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O5/c1-13(2)17(18(29)21(22,23)24)26-16(28)11-27-10-6-9-15(19(27)30)25-20(31)32-12-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,25,31)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50037109 (CHEMBL13684 | {2-Oxo-1-[(3,3,3-trifluoro-1-isoprop...) Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O5/c1-13(2)17(18(29)21(22,23)24)26-16(28)11-27-10-6-9-15(19(27)30)25-20(31)32-12-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,25,31)(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against bovine pancreatic chymotrypsinogen				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair