BDBM50031203 2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-benzoylamino]-3-methyl-butyryl}-pyrrolidine-2-carbonyl)-amino]-3-methyl-butyryl}-benzooxazole-6-carboxylic acid methyl ester::CHEMBL334978::methyl 2-((S)-2-((S)-1-((S)-2-(4-(carbamoyl)benzamido)-3-methylbutanoyl)pyrrolidine-2-carboxamido)-3-methylbutanoyl)benzo[d]oxazole-6-carboxylate
SMILES: COC(=O)c1ccc2nc(oc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C
InChI Key: InChIKey=ICNRVMVZEPKKKP-ASVWTAOFSA-N
Data: 2 KI
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)) | BDBM50031203 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | 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 | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50031203 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.180 | 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-pNa | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair |