BindingDB PrimarySearch

null

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=FVOBWOKIKIDXMP-FHWLQOOXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50036058
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 \| benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 \| benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
Zeneca Pharmaceuticals Group Curated by ChEMBL					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 \| benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay				J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ
ZENECA Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 \| benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				J Med Chem 54: 2529-91 (2011) Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 \| benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for human leukocyte elastase				J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85
ZENECA Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 \| benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN				J Med Chem 38: 76-85 (1995) BindingDB Entry DOI: 10.7270/Q2Z60N41
ZENECA Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 \| benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 \| benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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
ZENECA Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair