BDBM50270031 1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-fluorothiophen-2-yl)-1-oxopropan-2-aminium 2,2,2-trifluoroacetate::CHEMBL515494
SMILES: [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
InChI Key: InChIKey=UUKJIEBFYVGYRF-YTQWVHSASA-O
Data: 11 IC50
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)) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Blockade of neutrophil elastase processing in human U937 cells after 7 days by fluorogenic substrate cleavage assay | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of cathepsin G in human U937 cells | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Mus musculus) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of cathepsin G activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloblastin (Mus musculus) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of proteinase-3 activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Mus musculus) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of neutrophil elastase in human U937 cells | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin L after 10 mins | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin S after 10 mins | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Blockade of cathepsin G processing in human U937 cells by densitometry | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pro-cathepsin H (Homo sapiens (Human)) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin H after 10 mins | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50270031![]() (1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin B after 10 mins | J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM | |||||||||||
More data for this Ligand-Target Pair |