BDBM50031187 2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-benzoylamino]-3-methyl-butyryl}-pyrrolidine-2-carbonyl)-amino]-3-methyl-butyryl}-benzooxazole-5-carboxylic acid amide::CHEMBL419985
SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(ccc2o1)C(N)=O
InChI Key: InChIKey=YMWRFGBDAARFPT-BKHJTQGXSA-N
Data: 9 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)) | BDBM50031187 (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 | 0.200 | 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 | |||||||||||||
Pancreatic elastase (Sus scrofa) | BDBM50031187 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 26 | 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 of the compound towards porcine pancreatic elastase | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM50031187 (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 | 92 | 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 of the compound towards chymotrypsin | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50031187 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >5.00E+4 | 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 of the compound towards thrombin | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50031187 (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 | >5.00E+4 | 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 of the compound towards trypsin | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Rattus norvegicus) | BDBM50031187 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) | KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Biological activity of the compound was measured against Angiotensin I converting enzyme | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Papain (Carica papaya) | BDBM50031187 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >2.00E+5 | 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 of the compound towards papain | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Choline Acetyltransferase (RAT) | BDBM50031187 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >2.00E+6 | 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 of the compound towards Acetylcholinesterase | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50031187 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >2.00E+6 | 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 of the compound towards cathepsin G | J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN | |||||||||||
More data for this Ligand-Target Pair |