BDBM50118030 4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3-isopropyl-1-methanesulfonyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one; hydrochloride::CHEMBL543416
SMILES: CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O
InChI Key: InChIKey=TZSPKNFWFIBCTO-IXDOHACOSA-N
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)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK Curated by ChEMBL | Assay Description The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK Curated by ChEMBL | Assay Description The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | n/a | 3.30 | n/a | 7.4 | n/a |
GSK Curated by ChEMBL | Assay Description Association rate constant at pH 7.4 against Elastase | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK Curated by ChEMBL | Assay Description The compound was evaluated for its inhibitory activity against Chymotrypsinogen using selectivity assay | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK Curated by ChEMBL | Assay Description The compound was evaluated for its inhibitory activity against trypsin using selectivity assay | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK Curated by ChEMBL | Assay Description The compound was evaluated for its inhibitory activity against dog neutrophil elastase using whole blood assay | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK Curated by ChEMBL | Assay Description The compound was evaluated for its inhibitory activity against cathepsin G using selectivity assay | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK Curated by ChEMBL | Assay Description The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 2.52E+5 | 7.4 | n/a |
GSK Curated by ChEMBL | Assay Description Dissociation rate constant at pH 7.4 against Elastase | J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S | |||||||||||
More data for this Ligand-Target Pair |