BDBM50061510 (S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl)-2-[(S)-2-(3,3-dimethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-N*4*,N*4*-dimethyl-succinamide::(S)-N1-(1-(benzo[d]thiazol-2-yl)-1-oxopropan-2-yl)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethylsuccinamide::CHEMBL133803
SMILES: CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
InChI Key: InChIKey=PEBVROFXLQAOHG-ZYTBWDKESA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human rhinovirus A protease (Human rhinovirus B) | BDBM50061510 ((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Ltd. Curated by ChEMBL | Assay Description Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease | J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM50061510 ((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...) | 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 | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Ltd. Curated by ChEMBL | Assay Description Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC) | J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prolyl endopeptidase (Sus scrofa) | BDBM50061510 ((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of pig kidney PEP | 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)) | BDBM50061510 ((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...) | 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 | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Ltd. Curated by ChEMBL | Assay Description Binding affinity for human leukocyte elastase(HLE) serine protease | J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic elastase (Sus scrofa) | BDBM50061510 ((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Ltd. Curated by ChEMBL | Assay Description Activity against serine protease porcine pancreatic elastase (PPE) | J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50061510 ((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...) | 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 | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Ltd. Curated by ChEMBL | Assay Description Activity against serine protease human liver Cathepsin B (cat-B ) | J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW | |||||||||||
More data for this Ligand-Target Pair |